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1-(2,5-Dimethoxyphenyl)-3-isobutylurea

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

1-(2,5-Dimethoxyphenyl)-3-isobutylurea
SpectraBase Compound ID Ja2tgAHtkBs
InChI InChI=1S/C13H20N2O3/c1-9(2)8-14-13(16)15-11-7-10(17-3)5-6-12(11)18-4/h5-7,9H,8H2,1-4H3,(H2,14,15,16)
InChIKey TVAQBQLLNSPPIT-UHFFFAOYSA-N
Mol Weight 252.31 g/mol
Molecular Formula C13H20N2O3
Exact Mass 252.147393 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID ASRHuzkUlaI
Name 1-(2,5-Dimethoxyphenyl)-3-isobutylurea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.147392509 u
Formula C13H20N2O3
InChI InChI=1S/C13H20N2O3/c1-9(2)8-14-13(16)15-11-7-10(17-3)5-6-12(11)18-4/h5-7,9H,8H2,1-4H3,(H2,14,15,16)
InChIKey TVAQBQLLNSPPIT-UHFFFAOYSA-N
Molecular Weight 252.314 g/mol
SMILES N(C1=CC(=CC=C1OC)OC)C(NCC(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.89372