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p-(Diphenylphosphino)benzoic acid, methyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

p-(Diphenylphosphino)benzoic acid, methyl ester
SpectraBase Compound ID LL6rc3jv8qi
InChI InChI=1S/C20H17O2P/c1-22-20(21)16-12-14-19(15-13-16)23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKey RCISAPWELCFSQI-UHFFFAOYSA-N
Mol Weight 320.33 g/mol
Molecular Formula C20H17O2P
Exact Mass 320.096617 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Ej9LWTgeV3r
Name p-(Diphenylphosphino)benzoic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.096616783 u
Formula C20H17O2P
InChI InChI=1S/C20H17O2P/c1-22-20(21)16-12-14-19(15-13-16)23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3
InChIKey RCISAPWELCFSQI-UHFFFAOYSA-N
Molecular Weight 320.328 g/mol
SMILES C=1C(=CC=C(C1)P(C=1C=CC=CC1)C=1C=CC=CC1)C(=O)OC
Spectrum/Structure Validation Score (Raman) 0.894672