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7-Oxo-7H-benzocycloheptene-6-carboxylic acid isobutyl ester
SpectraBase Compound ID 1n8gleJIVKr
InChI InChI=1S/C16H16O3/c1-11(2)10-19-16(18)14-9-13-6-4-3-5-12(13)7-8-15(14)17/h3-9,11H,10H2,1-2H3
InChIKey FDJXYNFPLSTCHK-UHFFFAOYSA-N
Mol Weight 256.3 g/mol
Molecular Formula C16H16O3
Exact Mass 256.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 161HZf4TuuS
Name 7-Oxo-7H-benzocycloheptene-6-carboxylic acid isobutyl ester
Alternate Name(s) isobutyl 7-oxo-7H-benzo[a]cycloheptene-6-carboxylate Isobutyl Benzotropone-2-carboxylate 7-Oxo-6-benzo[7]annulenecarboxylic acid 2-methylpropyl ester 2-Methylpropyl 7-oxobenzo[7]annulene-6-carboxylate isobutyl 7-oxobenzo[7]annulene-6-carboxylate 2-Methylpropyl 7-oxidanylidenebenzo[7]annulene-6-carboxylate
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Formula C16H16O3
InChI InChI=1S/C16H16O3/c1-11(2)10-19-16(18)14-9-13-6-4-3-5-12(13)7-8-15(14)17/h3-9,11H,10H2,1-2H3
InChIKey FDJXYNFPLSTCHK-UHFFFAOYSA-N
Molecular Weight 256.301 g/mol
SMILES C1(=Cc2c(cccc2)C=CC1=O)C(OCC(C)C)=O
SPLASH splash10-05gi-0910000000-72b8a1434eb1a4cce095
Source of Spectrum F-69-3420-3
Wiley ID 1595061