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7-keto-5,6,8,9-tetrahydrobenzocycloheptene-5-carboxylic acid ethyl ester
SpectraBase Compound ID 1gfoMZRDKAH
InChI InChI=1S/C14H16O3/c1-2-17-14(16)13-9-11(15)8-7-10-5-3-4-6-12(10)13/h3-6,13H,2,7-9H2,1H3
InChIKey WODKKNHLEDFQKS-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 K1OZ0e7h1sW
Name 7-keto-5,6,8,9-tetrahydrobenzocycloheptene-5-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-2-17-14(16)13-9-11(15)8-7-10-5-3-4-6-12(10)13/h3-6,13H,2,7-9H2,1H3
InChIKey WODKKNHLEDFQKS-UHFFFAOYSA-N
Molecular Weight 232.279 g/mol
SMILES C1(c2c(CCC(C1)=O)cccc2)C(=O)OCC
SPLASH splash10-0a59-0920000000-607cab92d5c28e35e67f
Source of Spectrum F-48-4036-13
Synonyms 7-Oxo-5,6,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid ethyl ester Ethyl 7-oxidanylidene-5,6,8,9-tetrahydrobenzo[7]annulene-5-carboxylate Ethyl 7-oxo-5,6,8,9-tetrahydrobenzo[7]annulene-5-carboxylate
Wiley ID 1234025