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3-(6-Chloro-o-tolyl)-1,1-diethylurea

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

3-(6-Chloro-o-tolyl)-1,1-diethylurea
SpectraBase Compound ID Cw31Kuh9ptU
InChI InChI=1S/C12H17ClN2O/c1-4-15(5-2)12(16)14-11-9(3)7-6-8-10(11)13/h6-8H,4-5H2,1-3H3,(H,14,16)
InChIKey YUOISWDBKRMUTK-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 IotrJ4IPjOi
Name 3-(6-Chloro-o-tolyl)-1,1-diethylurea
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/c1-4-15(5-2)12(16)14-11-9(3)7-6-8-10(11)13/h6-8H,4-5H2,1-3H3,(H,14,16)
InChIKey YUOISWDBKRMUTK-UHFFFAOYSA-N
Molecular Weight 240.734 g/mol
SMILES N(C1=C(C=CC=C1Cl)C)C(=O)N(CC)CC
Spectrum/Structure Validation Score (Raman) 0.830342