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3-Benzyl-1,1-dicyclohexylurea

View entire compound with spectra: 4 NMR, 1 FTIR, and 1 Raman

3-Benzyl-1,1-dicyclohexylurea
SpectraBase Compound ID HBZH6AyomkS
InChI InChI=1S/C20H30N2O/c23-20(21-16-17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1,4-5,10-11,18-19H,2-3,6-9,12-16H2,(H,21,23)
InChIKey BSLVLGOCXUJMGY-UHFFFAOYSA-N
Mol Weight 314.47 g/mol
Molecular Formula C20H30N2O
Exact Mass 314.235814 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID DUpj4qG1FZW
Name 3-Benzyl-1,1-dicyclohexylurea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.235813593 u
Formula C20H30N2O
InChI InChI=1S/C20H30N2O/c23-20(21-16-17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1,4-5,10-11,18-19H,2-3,6-9,12-16H2,(H,21,23)
InChIKey BSLVLGOCXUJMGY-UHFFFAOYSA-N
SMILES N(CC1=CC=CC=C1)C(N(C1CCCCC1)C1CCCCC1)=O
Spectrum/Structure Validation Score (Raman) 0.976224