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(3-Phenylcyclobutylidene)acetic acid

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

(3-Phenylcyclobutylidene)acetic acid
SpectraBase Compound ID 5EMhfcMyds5
InChI InChI=1S/C12H12O2/c13-12(14)8-9-6-11(7-9)10-4-2-1-3-5-10/h1-5,8,11H,6-7H2,(H,13,14)/b9-8-
InChIKey RJYOUCHYBAVDQD-HJWRWDBZSA-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 87WaPVPIeYN
Name (3-Phenylcyclobutylidene)acetic 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)8-9-6-11(7-9)10-4-2-1-3-5-10/h1-5,8,11H,6-7H2,(H,13,14)/b9-8-
InChIKey RJYOUCHYBAVDQD-HJWRWDBZSA-N
Molecular Weight 188.226 g/mol
SMILES C1(=CC(=O)O)CC(C1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.839198