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

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

3-(6-Chloro-o-tolyl)-1,1-diisobutylurea
SpectraBase Compound ID BdjwE9HknyI
InChI InChI=1S/C16H25ClN2O/c1-11(2)9-19(10-12(3)4)16(20)18-15-13(5)7-6-8-14(15)17/h6-8,11-12H,9-10H2,1-5H3,(H,18,20)
InChIKey MGPWJSDAEXZIDN-UHFFFAOYSA-N
Mol Weight 296.84 g/mol
Molecular Formula C16H25ClN2O
Exact Mass 296.165541 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID AoxiUvniwiw
Name 3-(6-Chloro-o-tolyl)-1,1-diisobutylurea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.165541132 u
Formula C16H25ClN2O
InChI InChI=1S/C16H25ClN2O/c1-11(2)9-19(10-12(3)4)16(20)18-15-13(5)7-6-8-14(15)17/h6-8,11-12H,9-10H2,1-5H3,(H,18,20)
InChIKey MGPWJSDAEXZIDN-UHFFFAOYSA-N
SMILES N(C1=C(C=CC=C1Cl)C)C(N(CC(C)C)CC(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.92709