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3-(p-Chlorophenyl)-1,1-diisopropylurea

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

3-(p-Chlorophenyl)-1,1-diisopropylurea
SpectraBase Compound ID LnA2f4dRup9
InChI InChI=1S/C13H19ClN2O/c1-9(2)16(10(3)4)13(17)15-12-7-5-11(14)6-8-12/h5-10H,1-4H3,(H,15,17)
InChIKey QFVFULXOEZUITQ-UHFFFAOYSA-N
Mol Weight 254.76 g/mol
Molecular Formula C13H19ClN2O
Exact Mass 254.118591 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 4rC2RgFRMvQ
Name 3-(p-Chlorophenyl)-1,1-diisopropylurea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.118590939 u
Formula C13H19ClN2O
InChI InChI=1S/C13H19ClN2O/c1-9(2)16(10(3)4)13(17)15-12-7-5-11(14)6-8-12/h5-10H,1-4H3,(H,15,17)
InChIKey QFVFULXOEZUITQ-UHFFFAOYSA-N
Molecular Weight 254.761 g/mol
SMILES N(C1=CC=C(C=C1)Cl)C(N(C(C)C)C(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.73366