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1-(m-Chlorophenyl)-3-isobutylurea

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

1-(m-Chlorophenyl)-3-isobutylurea
SpectraBase Compound ID 8qJzpiasRVe
InChI InChI=1S/C11H15ClN2O/c1-8(2)7-13-11(15)14-10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3,(H2,13,14,15)
InChIKey KLOATSBFXVNNHE-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 JzlNclio8H9
Name 1-(m-Chlorophenyl)-3-isobutylurea
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/c1-8(2)7-13-11(15)14-10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3,(H2,13,14,15)
InChIKey KLOATSBFXVNNHE-UHFFFAOYSA-N
Molecular Weight 226.707 g/mol
SMILES N(C1=CC=CC(=C1)Cl)C(NCC(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.737252