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1,1-Diallyl-3-(2,4,5-trichlorophenyl)urea

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

1,1-Diallyl-3-(2,4,5-trichlorophenyl)urea
SpectraBase Compound ID 333snJiMdvR
InChI InChI=1S/C13H13Cl3N2O/c1-3-5-18(6-4-2)13(19)17-12-8-10(15)9(14)7-11(12)16/h3-4,7-8H,1-2,5-6H2,(H,17,19)
InChIKey WIIGKCVNHDGIKO-UHFFFAOYSA-N
Mol Weight 319.62 g/mol
Molecular Formula C13H13Cl3N2O
Exact Mass 318.009346 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID FxgpQKbXNgg
Name 1,1-Diallyl-3-(2,4,5-trichlorophenyl)urea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.009346146 u
Formula C13H13Cl3N2O
InChI InChI=1S/C13H13Cl3N2O/c1-3-5-18(6-4-2)13(19)17-12-8-10(15)9(14)7-11(12)16/h3-4,7-8H,1-2,5-6H2,(H,17,19)
InChIKey WIIGKCVNHDGIKO-UHFFFAOYSA-N
Molecular Weight 319.619 g/mol
SMILES N(C1=C(C=C(C(=C1)Cl)Cl)Cl)C(N(CC=C)CC=C)=O
Spectrum/Structure Validation Score (Raman) 0.801331