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1-(6-Tert-butyl-o-tolyl)-3-methylurea

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

1-(6-Tert-butyl-o-tolyl)-3-methylurea
SpectraBase Compound ID 7iFKrwQcgpH
InChI InChI=1S/C13H20N2O/c1-9-7-6-8-10(13(2,3)4)11(9)15-12(16)14-5/h6-8H,1-5H3,(H2,14,15,16)
InChIKey ZRZONLIHZGAQAE-UHFFFAOYSA-N
Mol Weight 220.32 g/mol
Molecular Formula C13H20N2O
Exact Mass 220.157563 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID K8kwcPMTkyM
Name 1-(6-Tert-butyl-o-tolyl)-3-methylurea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.157563271 u
Formula C13H20N2O
InChI InChI=1S/C13H20N2O/c1-9-7-6-8-10(13(2,3)4)11(9)15-12(16)14-5/h6-8H,1-5H3,(H2,14,15,16)
InChIKey ZRZONLIHZGAQAE-UHFFFAOYSA-N
Molecular Weight 220.316 g/mol
SMILES N(C1=C(C=CC=C1C(C)(C)C)C)C(NC)=O
Spectrum/Structure Validation Score (Raman) 0.932228