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3-(2-Chloro-4-nitrophenyl)-1,1-dimethylurea

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

3-(2-Chloro-4-nitrophenyl)-1,1-dimethylurea
SpectraBase Compound ID qwiXdANXZE
InChI InChI=1S/C9H10ClN3O3/c1-12(2)9(14)11-8-4-3-6(13(15)16)5-7(8)10/h3-5H,1-2H3,(H,11,14)
InChIKey QDRIOMFMLJYXCY-UHFFFAOYSA-N
Mol Weight 243.65 g/mol
Molecular Formula C9H10ClN3O3
Exact Mass 243.041069 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 2fmDNdc1KEw
Name 3-(2-Chloro-4-nitrophenyl)-1,1-dimethylurea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.041068891 u
Formula C9H10ClN3O3
InChI InChI=1S/C9H10ClN3O3/c1-12(2)9(14)11-8-4-3-6(13(15)16)5-7(8)10/h3-5H,1-2H3,(H,11,14)
InChIKey QDRIOMFMLJYXCY-UHFFFAOYSA-N
Molecular Weight 243.650 g/mol
SMILES N(C1=CC=C(C=C1Cl)N(=O)=O)C(N(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.971948