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(alpha-Anilinobenzyl)phosphonic acid, diphenyl ester

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

(alpha-Anilinobenzyl)phosphonic acid, diphenyl ester
SpectraBase Compound ID BAnNYPisSQs
InChI InChI=1S/C25H22NO3P/c27-30(28-23-17-9-3-10-18-23,29-24-19-11-4-12-20-24)25(21-13-5-1-6-14-21)26-22-15-7-2-8-16-22/h1-20,25-26H
InChIKey ULCZSQUMVLKFFC-UHFFFAOYSA-N
Mol Weight 415.43 g/mol
Molecular Formula C25H22NO3P
Exact Mass 415.133731 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID IpKvkMX9662
Name (alpha-Anilinobenzyl)phosphonic acid, diphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.133730567 u
Formula C25H22NO3P
InChI InChI=1S/C25H22NO3P/c27-30(28-23-17-9-3-10-18-23,29-24-19-11-4-12-20-24)25(21-13-5-1-6-14-21)26-22-15-7-2-8-16-22/h1-20,25-26H
InChIKey ULCZSQUMVLKFFC-UHFFFAOYSA-N
Molecular Weight 415.429 g/mol
SMILES N(C(C1=CC=CC=C1)P(OC=1C=CC=CC1)(=O)OC=1C=CC=CC1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Raman) 0.880426