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3-(5-Chloro-o-tolyl)-1,1-dipropylurea

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

3-(5-Chloro-o-tolyl)-1,1-dipropylurea
SpectraBase Compound ID F5wvxvWkFVL
InChI InChI=1S/C14H21ClN2O/c1-4-8-17(9-5-2)14(18)16-13-10-12(15)7-6-11(13)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)
InChIKey GZFNNMXLVHLFAH-UHFFFAOYSA-N
Mol Weight 268.79 g/mol
Molecular Formula C14H21ClN2O
Exact Mass 268.134241 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KTu8Yt2buGO
Name 3-(5-Chloro-o-tolyl)-1,1-dipropylurea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.134241003 u
Formula C14H21ClN2O
InChI InChI=1S/C14H21ClN2O/c1-4-8-17(9-5-2)14(18)16-13-10-12(15)7-6-11(13)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)
InChIKey GZFNNMXLVHLFAH-UHFFFAOYSA-N
Molecular Weight 268.788 g/mol
SMILES N(C1=CC(=CC=C1C)Cl)C(N(CCC)CCC)=O
Spectrum/Structure Validation Score (Raman) 0.938207