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1-(4-Chloro-o-tolyl)-3-propylurea

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

1-(4-Chloro-o-tolyl)-3-propylurea
SpectraBase Compound ID JvufWV4fosb
InChI InChI=1S/C11H15ClN2O/c1-3-6-13-11(15)14-10-5-4-9(12)7-8(10)2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15)
InChIKey GLJDLBLASYSWCO-UHFFFAOYSA-N
Mol Weight 226.71 g/mol
Molecular Formula C11H15ClN2O
Exact Mass 226.087291 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID EDRmn2qUhj9
Name 1-(4-Chloro-o-tolyl)-3-propylurea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.087290810 u
Formula C11H15ClN2O
InChI InChI=1S/C11H15ClN2O/c1-3-6-13-11(15)14-10-5-4-9(12)7-8(10)2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15)
InChIKey GLJDLBLASYSWCO-UHFFFAOYSA-N
Molecular Weight 226.707 g/mol
SMILES N(C1=CC=C(C=C1C)Cl)C(NCCC)=O
Spectrum/Structure Validation Score (Raman) 0.921646