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7-Oxo-7H-benzo[a]cycloheptene-6-carboxylic acid
SpectraBase Compound ID CTob66fYH3l
InChI InChI=1S/C12H8O3/c13-11-6-5-8-3-1-2-4-9(8)7-10(11)12(14)15/h1-7H,(H,14,15)
InChIKey PEWJUZRAGPYODJ-UHFFFAOYSA-N
Mol Weight 200.19 g/mol
Molecular Formula C12H8O3
Exact Mass 200.047344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3F9m9TfJj2s
Name 7-Oxo-7H-benzo[a]cycloheptene-6-carboxylic acid
CAS Registry Number 4900-69-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8O3
InChI InChI=1S/C12H8O3/c13-11-6-5-8-3-1-2-4-9(8)7-10(11)12(14)15/h1-7H,(H,14,15)
InChIKey PEWJUZRAGPYODJ-UHFFFAOYSA-N
Molecular Weight 200.193 g/mol
SMILES OC(C1=Cc2ccccc2C=CC1=O)=O
SPLASH splash10-056r-4900000000-550be0a2ababf42f7314
Synonyms 7-ketobenzocycloheptene-6-carboxylic acid 7-Oxidanylidenebenzo[7]annulene-6-carboxylic acid 7-Oxo-6-benzo[7]annulenecarboxylic acid 7-Oxo-7H-benzocycloheptene-6-carboxylic acid 7-Oxobenzo[7]annulene-6-carboxylic acid
Wiley ID 1475648