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2-Phenyl-3-bicyclo[2.2.1]hepta-2,5-dienecarboxylic acid

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

2-Phenyl-3-bicyclo[2.2.1]hepta-2,5-dienecarboxylic acid
SpectraBase Compound ID CJHIUgXzG3E
InChI InChI=1S/C14H12O2/c15-14(16)13-11-7-6-10(8-11)12(13)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H,15,16)
InChIKey SHTRRRPUFZBTEY-UHFFFAOYSA-N
Mol Weight 212.25 g/mol
Molecular Formula C14H12O2
Exact Mass 212.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID I97tYIrpg1h
Name 2-Phenyl-3-bicyclo[2.2.1]hepta-2,5-dienecarboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.083729624 u
Formula C14H12O2
InChI InChI=1S/C14H12O2/c15-14(16)13-11-7-6-10(8-11)12(13)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H,15,16)
InChIKey SHTRRRPUFZBTEY-UHFFFAOYSA-N
Molecular Weight 212.248 g/mol
SMILES C1(=C(C2CC1C=C2)C=1C=CC=CC1)C(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977879