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2-Phenyl-3-ethenylcyclopropane-1-carboxylic acid

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

2-Phenyl-3-ethenylcyclopropane-1-carboxylic acid
SpectraBase Compound ID B6kSw3Ec1v4
InChI InChI=1S/C12H12O2/c1-2-9-10(11(9)12(13)14)8-6-4-3-5-7-8/h2-7,9-11H,1H2,(H,13,14)
InChIKey LPJSQBZCJLNFPS-UHFFFAOYSA-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 84FgLwf7acG
Name 2-Phenyl-3-ethenylcyclopropane-1-carboxylic 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/c1-2-9-10(11(9)12(13)14)8-6-4-3-5-7-8/h2-7,9-11H,1H2,(H,13,14)
InChIKey LPJSQBZCJLNFPS-UHFFFAOYSA-N
Molecular Weight 188.226 g/mol
SMILES C1(C(C1C=C)C=1C=CC=CC1)C(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966584