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1-Benzyl-3-(3,4-xylyl)urea

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

1-Benzyl-3-(3,4-xylyl)urea
SpectraBase Compound ID 7OcsxDVcETt
InChI InChI=1S/C16H18N2O/c1-12-8-9-15(10-13(12)2)18-16(19)17-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKey RPJPISVYWUUKGS-UHFFFAOYSA-N
Mol Weight 254.33 g/mol
Molecular Formula C16H18N2O
Exact Mass 254.141913 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 8xsBeZNkBrS
Name 1-Benzyl-3-(3,4-xylyl)urea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.141913207 u
Formula C16H18N2O
InChI InChI=1S/C16H18N2O/c1-12-8-9-15(10-13(12)2)18-16(19)17-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKey RPJPISVYWUUKGS-UHFFFAOYSA-N
Molecular Weight 254.333 g/mol
SMILES N(C1=CC=C(C(=C1)C)C)C(NCC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Raman) 0.816126