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2-(7-keto-5,6,8,9-tetrahydrobenzocyclohepten-6-yl)acetic acid methyl ester
SpectraBase Compound ID 4k5iYILS9mq
InChI InChI=1S/C14H16O3/c1-17-14(16)9-12-8-11-5-3-2-4-10(11)6-7-13(12)15/h2-5,12H,6-9H2,1H3
InChIKey RSNZFTSELXDJKH-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 47bosSZACiY
Name 2-(7-keto-5,6,8,9-tetrahydrobenzocyclohepten-6-yl)acetic acid methyl ester
Alternate Name(s) 2-(7-oxo-5,6,8,9-tetrahydrobenzo[7]annulen-6-yl)acetic acid methyl ester Methyl 2-(7-oxidanylidene-5,6,8,9-tetrahydrobenzo[7]annulen-6-yl)ethanoate Methyl 2-(7-oxo-5,6,8,9-tetrahydrobenzo[7]annulen-6-yl)acetate
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Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-17-14(16)9-12-8-11-5-3-2-4-10(11)6-7-13(12)15/h2-5,12H,6-9H2,1H3
InChIKey RSNZFTSELXDJKH-UHFFFAOYSA-N
Molecular Weight 232.279 g/mol
SMILES C1(C(CCc2c(C1)cccc2)=O)CC(=O)OC
SPLASH splash10-0kxr-2930000000-c1087e12fb4f615677d2
Source of Spectrum J-57-1440-30
Wiley ID 1234006