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N-Methyl-N'-benzylurea

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

N-Methyl-N'-benzylurea
SpectraBase Compound ID DkhIOFLfXeJ
InChI InChI=1S/C9H12N2O/c1-10-9(12)11-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,11,12)
InChIKey QNMWSLMZPATZTD-UHFFFAOYSA-N
Mol Weight 164.21 g/mol
Molecular Formula C9H12N2O
Exact Mass 164.094963 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 9559NbaJUSh
Name 1-Benzyl-3-methylurea; N-methyl-N'-benzylurea; urea, 1-benzyl-3-methyl-; urea N-methyl-N'-(phenylmethyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 164.094963013 u
Formula C9H12N2O
InChI InChI=1S/C9H12N2O/c1-10-9(12)11-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,11,12)
InChIKey QNMWSLMZPATZTD-UHFFFAOYSA-N
SMILES N(C(NC)=O)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Raman) 0.975726