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(A-Anilinobenzyl)phosphonic acid, dibenzyl ester

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

(A-Anilinobenzyl)phosphonic acid, dibenzyl ester
SpectraBase Compound ID Iymp08vyBji
InChI InChI=1S/C27H26NO3P/c29-32(30-21-23-13-5-1-6-14-23,31-22-24-15-7-2-8-16-24)27(25-17-9-3-10-18-25)28-26-19-11-4-12-20-26/h1-20,27-28H,21-22H2
InChIKey CESNQFHCYWLCOU-UHFFFAOYSA-N
Mol Weight 443.48 g/mol
Molecular Formula C27H26NO3P
Exact Mass 443.165031 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 32HWYP3erMD
Name (A-Anilinobenzyl)phosphonic acid, dibenzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.165030696 u
Formula C27H26NO3P
InChI InChI=1S/C27H26NO3P/c29-32(30-21-23-13-5-1-6-14-23,31-22-24-15-7-2-8-16-24)27(25-17-9-3-10-18-25)28-26-19-11-4-12-20-26/h1-20,27-28H,21-22H2
InChIKey CESNQFHCYWLCOU-UHFFFAOYSA-N
Molecular Weight 443.483 g/mol
SMILES N(C(P(=O)(OCC=1C=CC=CC1)OCC=1C=CC=CC1)C=1C=CC=CC1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Raman) 0.996347