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2-(3-Benzylphenyl)propionic acid

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

2-(3-Benzylphenyl)propionic acid
SpectraBase Compound ID 2plDCv19oGl
InChI InChI=1S/C16H16O2/c1-12(16(17)18)15-9-5-8-14(11-15)10-13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3,(H,17,18)
InChIKey RYYYTOGKTKBJDJ-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C16H16O2
Exact Mass 240.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5Ppm7Y02NHe
Name 2-(3-Benzylphenyl)propionic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.115029753 u
Formula C16H16O2
InChI InChI=1S/C16H16O2/c1-12(16(17)18)15-9-5-8-14(11-15)10-13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3,(H,17,18)
InChIKey RYYYTOGKTKBJDJ-UHFFFAOYSA-N
Molecular Weight 240.302 g/mol
SMILES C(C(C)C=1C=C(C=CC1)CC=1C=CC=CC1)(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925418