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3-Benzylidenecyclobutanecarboxylic acid

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

3-Benzylidenecyclobutanecarboxylic acid
SpectraBase Compound ID AFNAFtwqacT
InChI InChI=1S/C12H12O2/c13-12(14)11-7-10(8-11)6-9-4-2-1-3-5-9/h1-6,11H,7-8H2,(H,13,14)/b10-6-
InChIKey VOJXBHKSHQUZLI-POHAHGRESA-N
Mol Weight 188.23 g/mol
Molecular Formula C12H12O2
Exact Mass 188.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AdRjNZ7bMut
Name 3-Benzylidenecyclobutanecarboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 188.083729624 u
Formula C12H12O2
InChI InChI=1S/C12H12O2/c13-12(14)11-7-10(8-11)6-9-4-2-1-3-5-9/h1-6,11H,7-8H2,(H,13,14)/b10-6-
InChIKey VOJXBHKSHQUZLI-POHAHGRESA-N
Molecular Weight 188.226 g/mol
SMILES C1(=CC=2C=CC=CC2)CC(C1)C(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961043