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1,1,3-Tribenzylurea

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

1,1,3-Tribenzylurea
SpectraBase Compound ID 2h2jeR5BIEW
InChI InChI=1S/C22H22N2O/c25-22(23-16-19-10-4-1-5-11-19)24(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2,(H,23,25)
InChIKey WNNCXTWFLYJYEB-UHFFFAOYSA-N
Mol Weight 330.43 g/mol
Molecular Formula C22H22N2O
Exact Mass 330.173213 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 6l8bbUMYnk3
Name 1,1,3-Tribenzylurea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.173213335 u
Formula C22H22N2O
InChI InChI=1S/C22H22N2O/c25-22(23-16-19-10-4-1-5-11-19)24(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2,(H,23,25)
InChIKey WNNCXTWFLYJYEB-UHFFFAOYSA-N
Molecular Weight 330.431 g/mol
SMILES N(CC1=CC=CC=C1)C(N(CC=1C=CC=CC1)CC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Raman) 0.967862