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5-keto-6,7,8,9-tetrahydrobenzocycloheptene-6-carboxylic acid ethyl ester
SpectraBase Compound ID 7QT3WQZolKE
InChI InChI=1S/C14H16O3/c1-2-17-14(16)12-9-5-7-10-6-3-4-8-11(10)13(12)15/h3-4,6,8,12H,2,5,7,9H2,1H3
InChIKey SRVAVQJNRPJQSO-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 1jyWjDPKNyy
Name 5-keto-6,7,8,9-tetrahydrobenzocycloheptene-6-carboxylic acid ethyl ester
Alternate Name(s) 5-Oxo-6,7,8,9-tetrahydrobenzo[7]annulene-6-carboxylic acid ethyl ester Ethyl 5-oxidanylidene-6,7,8,9-tetrahydrobenzo[7]annulene-6-carboxylate Ethyl 5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-6-carboxylate
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Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-2-17-14(16)12-9-5-7-10-6-3-4-8-11(10)13(12)15/h3-4,6,8,12H,2,5,7,9H2,1H3
InChIKey SRVAVQJNRPJQSO-UHFFFAOYSA-N
Molecular Weight 232.279 g/mol
SMILES C1(C(C(=O)OCC)CCCc2c1cccc2)=O
SPLASH splash10-053i-0930000000-92dd1afae11f311bd589
Source of Spectrum F-48-4034-0
Wiley ID 1234026