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1-Allyl-3-(2,5-dimethoxyphenyl)urea

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

1-Allyl-3-(2,5-dimethoxyphenyl)urea
SpectraBase Compound ID BUs4ek0kWTX
InChI InChI=1S/C12H16N2O3/c1-4-7-13-12(15)14-10-8-9(16-2)5-6-11(10)17-3/h4-6,8H,1,7H2,2-3H3,(H2,13,14,15)
InChIKey APOWEVDPWFFELD-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C12H16N2O3
Exact Mass 236.116092 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 9u9XhvUGfRb
Name 1-Allyl-3-(2,5-dimethoxyphenyl)urea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.116092380 u
Formula C12H16N2O3
InChI InChI=1S/C12H16N2O3/c1-4-7-13-12(15)14-10-8-9(16-2)5-6-11(10)17-3/h4-6,8H,1,7H2,2-3H3,(H2,13,14,15)
InChIKey APOWEVDPWFFELD-UHFFFAOYSA-N
Molecular Weight 236.271 g/mol
SMILES N(C1=CC(=CC=C1OC)OC)C(NCC=C)=O
Spectrum/Structure Validation Score (Raman) 0.931803