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3-(2,4-Dichlorophenyl)-1,1-diisopropylurea

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

3-(2,4-Dichlorophenyl)-1,1-diisopropylurea
SpectraBase Compound ID KWxBHfp8rnI
InChI InChI=1S/C13H18Cl2N2O/c1-8(2)17(9(3)4)13(18)16-12-6-5-10(14)7-11(12)15/h5-9H,1-4H3,(H,16,18)
InChIKey SNVXQNDEDXIMJG-UHFFFAOYSA-N
Mol Weight 289.21 g/mol
Molecular Formula C13H18Cl2N2O
Exact Mass 288.079619 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 7uTyycJXRJw
Name 3-(2,4-Dichlorophenyl)-1,1-diisopropylurea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.079618607 u
Formula C13H18Cl2N2O
InChI InChI=1S/C13H18Cl2N2O/c1-8(2)17(9(3)4)13(18)16-12-6-5-10(14)7-11(12)15/h5-9H,1-4H3,(H,16,18)
InChIKey SNVXQNDEDXIMJG-UHFFFAOYSA-N
Molecular Weight 289.206 g/mol
SMILES N(C1=CC=C(C=C1Cl)Cl)C(N(C(C)C)C(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.815729