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1-Butyl-3-(6-chloro-o-tolyl)urea

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

1-Butyl-3-(6-chloro-o-tolyl)urea
SpectraBase Compound ID FxZ6ddqOULk
InChI InChI=1S/C12H17ClN2O/c1-3-4-8-14-12(16)15-11-9(2)6-5-7-10(11)13/h5-7H,3-4,8H2,1-2H3,(H2,14,15,16)
InChIKey JFFYBBBWSGVOIY-UHFFFAOYSA-N
Mol Weight 240.73 g/mol
Molecular Formula C12H17ClN2O
Exact Mass 240.102941 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KPGBOHN5Hdp
Name 1-Butyl-3-(6-chloro-o-tolyl)urea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.102940874 u
Formula C12H17ClN2O
InChI InChI=1S/C12H17ClN2O/c1-3-4-8-14-12(16)15-11-9(2)6-5-7-10(11)13/h5-7H,3-4,8H2,1-2H3,(H2,14,15,16)
InChIKey JFFYBBBWSGVOIY-UHFFFAOYSA-N
Molecular Weight 240.734 g/mol
SMILES N(C1=C(C=CC=C1Cl)C)C(NCCCC)=O
Spectrum/Structure Validation Score (Raman) 0.794279