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2-(5-keto-6,7,8,9-tetrahydrobenzocyclohepten-6-yl)acetic acid methyl ester
SpectraBase Compound ID KKKUB8cB3Ao
InChI InChI=1S/C14H16O3/c1-17-13(15)9-11-7-4-6-10-5-2-3-8-12(10)14(11)16/h2-3,5,8,11H,4,6-7,9H2,1H3
InChIKey RDBVHMKODLYEKQ-UHFFFAOYSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8l18FTxfw0f
Name 2-(5-keto-6,7,8,9-tetrahydrobenzocyclohepten-6-yl)acetic acid methyl ester
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Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-17-13(15)9-11-7-4-6-10-5-2-3-8-12(10)14(11)16/h2-3,5,8,11H,4,6-7,9H2,1H3
InChIKey RDBVHMKODLYEKQ-UHFFFAOYSA-N
Molecular Weight 232.279 g/mol
SMILES C1(c2c(CCCC1CC(=O)OC)cccc2)=O
SPLASH splash10-0uec-3960000000-235e554a75c84d7dbe7f
Source of Spectrum J-57-1440-26
Synonyms 2-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)acetic acid methyl ester Methyl (5-oxo-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-6-yl)acetate Methyl 2-(5-oxidanylidene-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)ethanoate Methyl 2-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)acetate
Wiley ID 1234007