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7-Oxo-7H-benzocycloheptene-6-carboxylic acid

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

7-Oxo-7H-benzocycloheptene-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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BvhndWcOTxR
Name 7-oxo-7H-Benzocycloheptene-6-carboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.047344115 u
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 C1=C2C=CC(C(=CC2=CC=C1)C(=O)O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894118