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p-Cyanobenzoic acid, diphenylmethyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

p-Cyanobenzoic acid, diphenylmethyl ester
SpectraBase Compound ID FIa5Yld0Xvm
InChI InChI=1S/C21H15NO2/c22-15-16-11-13-19(14-12-16)21(23)24-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20H
InChIKey IZYPXSVLSNZLID-UHFFFAOYSA-N
Mol Weight 313.36 g/mol
Molecular Formula C21H15NO2
Exact Mass 313.110279 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KXr6rL41FMp
Name p-Cyanobenzoic acid, diphenylmethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.110278725 u
Formula C21H15NO2
InChI InChI=1S/C21H15NO2/c22-15-16-11-13-19(14-12-16)21(23)24-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,20H
InChIKey IZYPXSVLSNZLID-UHFFFAOYSA-N
Molecular Weight 313.356 g/mol
SMILES C=1C(=CC=C(C1)C#N)C(OC(C=1C=CC=CC1)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Raman) 0.98978