CAS: 64742-49-0 Molecular Formula: C6H14 Molecular Weight (g/mol): 86.178 MDL Number: MFCD00081849 InChI Key: AFABGHUZZDYHJO-UHFFFAOYSA-N Synonym: 2-methyl-pentane, unii-49ib0u6mld, methyl pentane, iso-hexane, 1,1-dimethylbutane, dimethylpropylmethane, 2-methyl pentane, 2-methylpentan, pentane, 2-methyl, isohexane PubChem CID: 7892 SMILES: CCCC(C)C

CAS: 300-08-3 Molecular Formula: C8H14BrNO2 Molecular Weight (g/mol): 236.11 MDL Number: MFCD00039041 InChI Key: AXOJRQLKMVSHHZ-UHFFFAOYSA-N Synonym: n-methyltetrahydronicotinic acid methyl ester hydrobromide, methyl 1,2,5,6-tetrahydro-1-methylnicotinate hydrobromide, unii-24s79b9cx7, arekolinhydrobromid german, methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate hydrobromide, arecoline hbr, taeniolin, arecoline bromide, arecoline hydrobromide PubChem CID: 9301 IUPAC Name: methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide SMILES: [H+].[Br-].COC(=O)C1=CCCN(C)C1

CAS: 68-26-8 Molecular Formula: C20H30O Molecular Weight (g/mol): 286.459 MDL Number: MFCD00001552 InChI Key: FPIPGXGPPPQFEQ-OVSJKPMPSA-N Synonym: alphasterol, chocola a, oleovitamin a, vitamin a alcohol, axerophthol, alphalin, vitamin a1, all-trans-retinol, vitamin a, retinol PubChem CID: 445354 ChEBI: CHEBI:17336 IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C

CAS: 142-82-5 Molecular Formula: C7H16 Molecular Weight (g/mol): 100.21 MDL Number: MFCD00009544 InChI Key: IMNFDUFMRHMDMM-UHFFFAOYSA-N Synonym: heptan polish, eptani, heptanen, skellysolve c, gettysolve-c, dipropyl methane, heptyl hydride, heptan, dipropylmethane, n-heptane PubChem CID: 8900 ChEBI: CHEBI:43098 IUPAC Name: heptane SMILES: CCCCCCC

CAS: 540-84-1 Molecular Formula: C8H18 Molecular Weight (g/mol): 114.232 MDL Number: MFCD00008943 InChI Key: NHTMVDHEPJAVLT-UHFFFAOYSA-N Synonym: isobutyltrimethylethane, i-octane, 2, 2, 4-trimethylpentane, ch3 2chch2c ch3 3, unii-qab8f5669o, 2,4,4-trimethylpentane, iso-octane, pentane, 2,2,4-trimethyl, isobutyltrimethylmethane, isooctane PubChem CID: 10907 ChEBI: CHEBI:62805 IUPAC Name: 2,2,4-trimethylpentane SMILES: CC(C)CC(C)(C)C

CAS: 64742-49-0 Molecular Formula: C6H14 Molecular Weight (g/mol): 86.178 MDL Number: MFCD00081849 InChI Key: AFABGHUZZDYHJO-UHFFFAOYSA-N Synonym: 2-methyl-pentane, unii-49ib0u6mld, methyl pentane, iso-hexane, 1,1-dimethylbutane, dimethylpropylmethane, 2-methyl pentane, 2-methylpentan, pentane, 2-methyl, isohexane PubChem CID: 7892 SMILES: CCCC(C)C

CAS: 108-38-3 Molecular Formula: C8H10 Molecular Weight (g/mol): 106.17 MDL Number: MFCD00008536 InChI Key: IVSZLXZYQVIEFR-UHFFFAOYSA-N Synonym: santosol 150, 1,3-dimethylbenzol, benzene, 1,3-dimethyl, 3-xylene, m-methyltoluene, meta-xylene, m-dimethylbenzene, m-xylol, 1,3-dimethylbenzene, m-xylene PubChem CID: 7929 ChEBI: CHEBI:28488 IUPAC Name: 1,3-xylene SMILES: CC1=CC(C)=CC=C1

CAS: 544-85-4 Molecular Formula: C32H66 Molecular Weight (g/mol): 450.88 MDL Number: MFCD00009411 InChI Key: QHMGJGNTMQDRQA-UHFFFAOYSA-N Synonym: wln: 32h, 4-01-00-00595 beilstein handbook reference, acmc-1akq8, dotriacontane, dotriacontane, n, lacceran, dicetyl, unii-7ksv90rn23, bicetyl, n-dotriacontane PubChem CID: 11008 ChEBI: CHEBI:36020 IUPAC Name: dotriacontane SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD00151408 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: 5,6 fullerene-c60-ih, fullerene-c60, footballene, 60 fullerene, fullerene 60, buckyball, buckminsterfullerene, fullerene PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C\{60}-I\{h})[5,6]fullerene SMILES: C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41

CAS: 142-82-5 Molecular Formula: C7H16 Molecular Weight (g/mol): 100.21 MDL Number: MFCD00009544 InChI Key: IMNFDUFMRHMDMM-UHFFFAOYSA-N Synonym: heptan polish, eptani, heptanen, skellysolve c, gettysolve-c, dipropyl methane, heptyl hydride, heptan, dipropylmethane, n-heptane PubChem CID: 8900 ChEBI: CHEBI:43098 IUPAC Name: heptane SMILES: CCCCCCC

CAS: 327-97-9 Molecular Formula: C16H18O9 Molecular Weight (g/mol): 354.31 MDL Number: MFCD00003862 InChI Key: CWVRJTMFETXNAD-JUHZACGLSA-N Synonym: unii-318adp12ri, 3-caffeoylquinate, caffeoyl quinic acid, hlorogenic acid, heriguard, 3-3,4-dihydroxycinnamoyl quinic acid, 3-o-caffeoylquinic acid, chlorogenate, 3-caffeoylquinic acid, chlorogenic acid PubChem CID: 1794427 ChEBI: CHEBI:16112 IUPAC Name: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid SMILES: O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O

CAS: 78888-18-3 Molecular Formula: C₈H₁₅NO₂ Molecular Weight (g/mol): 157.21 InChI Key: AWARHXCROCWEAK-UHFFFAOYSA-N Synonym: n-tertbutoxycarbonyl allyl amine, tert-butyl-n-allylcarbamate, allyl tert-butyl carbamate, acmc-209pfu, carbamic acid, 2-propenyl-, 1,1-dimethylethyl ester, t-butyl n-allylcarbamate, n-boc-allylamine, tert-butyl n-prop-2-en-1-yl carbamate, tert-butyl n-allylcarbamate, tert-butyl allylcarbamate PubChem CID: 4067274 IUPAC Name: tert-butyl N-prop-2-enylcarbamate SMILES: CC(C)(C)OC(=O)NCC=C

CAS: 2937-50-0 Molecular Formula: C₄H₅ClO₂ Molecular Weight (g/mol): 120.54 MDL Number: MFCD00000648 InChI Key: CAEWJEXPFKNBQL-UHFFFAOYSA-N Synonym: allylester kyseliny chlormravenci czech, allylester kyseliny chlormravenci, hsdb 621, formic acid, chloro-, allyl ester, carbonochloridic acid, 2-propenyl ester, 2-propenyl chloroformate, allylchloroformate, allyl chlorocarbonate, chloroformic acid allyl ester, allyl chloroformate PubChem CID: 18052 IUPAC Name: prop-2-enyl carbonochloridate SMILES: C=CCOC(=O)Cl

CAS: 8042-47-5 Molecular Formula: C16H10N2Na2O7S2 Molecular Weight (g/mol): 452.363 InChI Key: AEOVEGJBKQQFOP-DDVLFWKVSA-L Synonym: hexacol orange g, dolkwal orange g, colacid orange g, light orange g, c.i. food orange 4, c.i. orange g, c.i. acid orange 10, orange g, wool orange 2g, acid orange 10 PubChem CID: 9566064 IUPAC Name: disodium;(8Z)-7-oxo-8-(phenylhydrazinylidene)naphthalene-1,3-disulfonate SMILES: C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC(=CC(=C32)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

CAS: 108-88-3 Molecular Formula: C7H8 Molecular Weight (g/mol): 92.14 MDL Number: MFCD00008512 InChI Key: YXFVVABEGXRONW-UHFFFAOYSA-N Synonym: monomethyl benzene, tolu-sol, antisal 1a, toluen, methacide, methylbenzol, benzene, methyl, phenylmethane, toluol, methylbenzene PubChem CID: 1140 ChEBI: CHEBI:17578 IUPAC Name: toluene SMILES: CC1=CC=CC=C1

CAS: 123-35-3 Molecular Formula: C₁₀H₁₆ Molecular Weight (g/mol): 136.24 InChI Key: UAHWPYUMFXYFJY-UHFFFAOYSA-N Synonym: myrcene natural, 3-methylene-7-methyl-1,6-octadiene, 2-methyl-6-methylene-2,7-octadiene, .beta.-myrcene, beta-geraniolene, 1,6-octadiene, 7-methyl-3-methylene, 7-methyl-3-methylene-1,6-octadiene, 7-methyl-3-methyleneocta-1,6-diene, beta-myrcene, myrcene PubChem CID: 31253 ChEBI: CHEBI:17221 IUPAC Name: 7-methyl-3-methylideneocta-1,6-diene SMILES: CC(=CCCC(=C)C=C)C

CAS: 77-73-6 Molecular Formula: C₁₀H₁₂ Molecular Weight (g/mol): 132.2 InChI Key: HECLRDQVFMWTQS-UHFFFAOYSA-N Synonym: 1,3-cyclopentadiene, dimer, 3a,4,7,7a-tetrahydro-1h-4,7-methanoindene, 4,7-methano-1h-indene, 3a,4,7,7a-tetrahydro, dcpd, dimer cyklopentadienu, dicyklopentadien, bicyclopentadiene, cyclopentadiene dimer, biscyclopentadiene, dicyclopentadiene PubChem CID: 6492 ChEBI: CHEBI:34695 SMILES: C1C=CC2C1C3CC2C=C3

CAS: 141-79-7 Molecular Formula: C₆H₁₀O Molecular Weight (g/mol): 98.14 InChI Key: SHOJXDKTYKFBRD-UHFFFAOYSA-N Synonym: isopropylidene acetone, 3-isohexen-2-one, mesityloxyde, mesityloxid, methyl isobutenyl ketone, isobutenyl methyl ketone, isopropylideneacetone, 3-penten-2-one, 4-methyl, 4-methyl-3-penten-2-one, mesityl oxide PubChem CID: 8858 IUPAC Name: 4-methylpent-3-en-2-one SMILES: CC(=CC(=O)C)C

CAS: 936-58-3 Molecular Formula: C₁₀H₁₂O Molecular Weight (g/mol): 148.2 MDL Number: MFCD00039617 InChI Key: RGKVZBXSJFAZRE-UHFFFAOYSA-N Synonym: benzenemethanol, .alpha.-2-propenyl, benzenemethanol,a-2-propen-1-yl, 1-phenyl-3-buten-1-ol #, upenn_abs_025, acmc-1bdtt, 1-phenyl-but-3-en-1-ol, 4-phenyl-1-buten-4-ol, 1-phenyl-3-buten-1-ol PubChem CID: 220119 IUPAC Name: 1-phenylbut-3-en-1-ol SMILES: C=CCC(C1=CC=CC=C1)O

CAS: 1746-23-2 Molecular Formula: C12H16 Molecular Weight (g/mol): 160.26 MDL Number: MFCD00065126 InChI Key: QEDJMOONZLUIMC-UHFFFAOYSA-N Synonym: 4-t-butyl styrene, 1-tert-butyl-4-vinylbenzene, 9pct9cbw0v, 1-1,1-dimethylethyl-4-ethenylbenzene, unii-9pct9cbw0v, styrene, p-tert-butyl, benzene, 1-1,1-dimethylethyl-4-ethenyl, p-t-butylstyrene, p-tert-butylstyrene, 4-tert-butylstyrene PubChem CID: 15627 IUPAC Name: 1-tert-butyl-4-ethenylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)C=C

CAS: 103-65-1 Molecular Formula: C9H12 Molecular Weight (g/mol): 120.20 MDL Number: MFCD00009377 InChI Key: ODLMAHJVESYWTB-UHFFFAOYSA-N Synonym: propylbenzene, n, unii-0wr86zhg2z, propyl-benzene, n-propyl benzene, isocumene, 1-propylbenzene, benzene, propyl, phenylpropane, 1-phenylpropane, n-propylbenzene PubChem CID: 7668 ChEBI: CHEBI:42630 IUPAC Name: propylbenzene SMILES: CCCC1=CC=CC=C1

CAS: 110-82-7 Molecular Formula: C6H12 Molecular Weight (g/mol): 84.16 MDL Number: MFCD00003814 InChI Key: XDTMQSROBMDMFD-UHFFFAOYSA-N Synonym: polycyclohexane, benzenehexahydride, benzene, hexahydro, cyclohexaan, cicloesano, cykloheksan, cyclohexan, hexanaphthene, hexahydrobenzene, hexamethylene PubChem CID: 8078 ChEBI: CHEBI:29005 IUPAC Name: cyclohexane SMILES: C1CCCCC1

CAS: 142-30-3 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00004468 InChI Key: IHJUECRFYCQBMW-UHFFFAOYSA-N Synonym: 2,5-dimethylhexyne-2,5-diol, unii-22rr53u71w, tetramethyl-2-butynediol, olfine y, 3-hexyne-2,5-diol, 2,5-dimethyl, acetylenepinacol, tetramethylbutynediol, kemitracin-50, dimethylhexynediol, 2,5-dimethyl-3-hexyne-2,5-diol PubChem CID: 8883 IUPAC Name: 2,5-dimethylhex-3-yne-2,5-diol SMILES: CC(C)(C#CC(C)(C)O)O

CAS: 42472-69-5 Molecular Formula: C10H8O Molecular Weight (g/mol): 144.17 MDL Number: MFCD04974025 InChI Key: WHFPFLKZXFBCSO-UHFFFAOYSA-N PubChem CID: 5123626 IUPAC Name: 1-(4-ethynylphenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)C#C

CAS: 930-51-8 Molecular Formula: C7H10 Molecular Weight (g/mol): 94.16 MDL Number: MFCD00013744 InChI Key: TXVJSWLZYQMWPC-UHFFFAOYSA-N Synonym: cyclopentyl-acetylen, ethynyl-cyclopentane, ethynylcylopentane, cyclopentane, ethynyl-7ci, 8ci, 9ci, cyclopentane, ethynyl, cyclopentylethyne, cyclopentyl acetylene, cyclopentylacetylene PubChem CID: 136725 IUPAC Name: ethynylcyclopentane SMILES: C#CC1CCCC1

CAS: 72824-04-5 Molecular Formula: C9H17BO2 Molecular Weight (g/mol): 168.04 MDL Number: MFCD00013347 InChI Key: YMHIEPNFCBNQQU-UHFFFAOYSA-N Synonym: abape, pinacol allylboronate, allylboronicacidpinacolester, 2-prop-2-en-1-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-2-propenyl, allylboronic acid piracol ester, 4,4,5,5-tetramethyl-2-prop-2-en-1-yl-1,3,2-dioxaborolane, allylboronic acid, pinacol cyclic ester, 2-allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, allylboronic acid pinacol ester PubChem CID: 2763171 IUPAC Name: 4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(CC=C)OC1(C)C

CAS: 2213-32-3 Molecular Formula: C7H14 Molecular Weight (g/mol): 98.189 MDL Number: MFCD00039854 InChI Key: LXQPBCHJNIOMQU-UHFFFAOYSA-N Synonym: 1-pentene, 2,4-dimethyl-8ci 9ci, ch3 2chch2c ch3 =ch2, pentene, 2,4-dimethyl, acmc-1ch0z, 1-pentene, 2,4-dimethyl, 2,4-dimethyl-1-pentene PubChem CID: 16657 IUPAC Name: 2,4-dimethylpent-1-ene SMILES: CC(C)CC(=C)C