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- BenzonitrileCas#: 100-47-0 Compound CID: 7505Formula: C7H5N Molecular Weight: 103.12IUPAC Name: benzonitrileSMILES: C1=CC=C(C=C1)C#NInChIKey: JFDZBHWFFUWGJE-UHFFFAOYSA-NInChI: InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5HSynonyms: BENZONITRILE|100-47-0|Cyanobenzene|Phenyl cyanide|Benzenenitrile|Benzoic acid nitrile|Benzene, cyano-|Benzenecarbonit...
- 3-Methyl-1-butanolCas#: 123-51-3 Compound CID: 31260Formula: C5H12O Molecular Weight: 88.15IUPAC Name: 3-methylbutan-1-olSMILES: CC(C)CCOInChIKey: PHTQWCKDNZKARW-UHFFFAOYSA-NInChI: InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3Synonyms: Isoamyl alcohol (3-methyl butanol) | NSC1029 | NSC-1029 | 3-METHYL-BUTAN-(1)-OL | isopentylalcohol | 2-Methyl-4-butan...
- Methanol-ODCas#: 1455-13-6 Compound CID: 123113Formula: CH3DO Molecular Weight: 33.05IUPAC Name: deuteriooxymethaneSMILES: COInChIKey: OKKJLVBELUTLKV-VMNATFBRSA-NInChI: InChI=1S/CH4O/c1-2/h2H,1H3/i2DSynonyms: mono-Deuteromethanol | Methyl alcohol-OD
- Hexane, mixture of isomersCas#: 107-83-5 Compound CID: 7892Formula: C6H14 Molecular Weight: 86.17IUPAC Name: 2-methylpentaneSMILES: CCCC(C)CInChIKey: AFABGHUZZDYHJO-UHFFFAOYSA-NInChI: InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3Synonyms: NSC66496 | NSC-66496 | i-hexane | Isohexane, mixture of isomeric branched chain hexanes, < 5% n-hexane | Q209445 | UN...
- Cyrene™Cas#: 53716-82-8 Compound CID: 10975499Formula: C6H8O3 Molecular Weight: 128.13IUPAC Name: (1S,5R)-6,8-dioxabicyclo[3.2.1]octan-4-oneSMILES: C1CC(=O)C2OCC1O2InChIKey: WHIRALQRTSITMI-UJURSFKZSA-NInChI: InChI=1S/C6H8O3/c7-5-2-1-4-3-8-6(5)9-4/h4,6H,1-3H2/t4-,6+/m0/s1Synonyms: (1S,5R)-6,8-dioxabicyclo[3.2.1]octan-4-one | Dihydrolevoglucosenone | EC 807-130-4 | (1S,5R)-6,8-Dioxabicyclo(3.2.1)o...