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7-ketobenzocycloheptene-6-carboxylic acid ethyl ester
SpectraBase Compound ID Dd2gcB60avg
InChI InChI=1S/C14H12O3/c1-2-17-14(16)12-9-11-6-4-3-5-10(11)7-8-13(12)15/h3-9H,2H2,1H3
InChIKey LXXJAZPSKCENAX-UHFFFAOYSA-N
Mol Weight 228.25 g/mol
Molecular Formula C14H12O3
Exact Mass 228.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7DiY0GpIinE
Name 7-ketobenzocycloheptene-6-carboxylic acid ethyl ester
Alternate Name(s) 7-Oxo-6-benzo[7]annulenecarboxylic acid ethyl ester Ethyl 7-oxidanylidenebenzo[7]annulene-6-carboxylate Ethyl 7-oxobenzo[7]annulene-6-carboxylate
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Formula C14H12O3
InChI InChI=1S/C14H12O3/c1-2-17-14(16)12-9-11-6-4-3-5-10(11)7-8-13(12)15/h3-9H,2H2,1H3
InChIKey LXXJAZPSKCENAX-UHFFFAOYSA-N
Molecular Weight 228.247 g/mol
SMILES C1(=Cc2c(cccc2)C=CC1=O)C(=O)OCC
SPLASH splash10-0pdi-0940000000-db2c0ba5649b98f5c8af
Source of Spectrum F-69-3419-3
Wiley ID 1595065