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1-(6-Ethyl-o-tolyl)-3-isobutylurea

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

1-(6-Ethyl-o-tolyl)-3-isobutylurea
SpectraBase Compound ID I90X93XvBN0
InChI InChI=1S/C14H22N2O/c1-5-12-8-6-7-11(4)13(12)16-14(17)15-9-10(2)3/h6-8,10H,5,9H2,1-4H3,(H2,15,16,17)
InChIKey VPBJBCYFGBLULR-UHFFFAOYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C14H22N2O
Exact Mass 234.173213 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID EfUeTMeY4EH
Name 1-(6-Ethyl-o-tolyl)-3-isobutylurea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.173213335 u
Formula C14H22N2O
InChI InChI=1S/C14H22N2O/c1-5-12-8-6-7-11(4)13(12)16-14(17)15-9-10(2)3/h6-8,10H,5,9H2,1-4H3,(H2,15,16,17)
InChIKey VPBJBCYFGBLULR-UHFFFAOYSA-N
Molecular Weight 234.343 g/mol
SMILES N(C1=C(C=CC=C1CC)C)C(NCC(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.992328