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

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

3-(5-Chloro-o-tolyl)-1,1-diisopropylurea
SpectraBase Compound ID LRda1dnuKJM
InChI InChI=1S/C14H21ClN2O/c1-9(2)17(10(3)4)14(18)16-13-8-12(15)7-6-11(13)5/h6-10H,1-5H3,(H,16,18)
InChIKey APEAUGNSZGEJGN-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 Enrvm8anpXR
Name 3-(5-Chloro-o-tolyl)-1,1-diisopropylurea
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/c1-9(2)17(10(3)4)14(18)16-13-8-12(15)7-6-11(13)5/h6-10H,1-5H3,(H,16,18)
InChIKey APEAUGNSZGEJGN-UHFFFAOYSA-N
Molecular Weight 268.788 g/mol
SMILES N(C1=CC(=CC=C1C)Cl)C(N(C(C)C)C(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.953705