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1-Methyl-3-(alpha,alpha,alpha-trifluoro-o-tolyl)urea

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

1-Methyl-3-(alpha,alpha,alpha-trifluoro-o-tolyl)urea
SpectraBase Compound ID 1Bo28RTzON3
InChI InChI=1S/C9H9F3N2O/c1-13-8(15)14-7-5-3-2-4-6(7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)
InChIKey PMKIUKNSMDJUSB-UHFFFAOYSA-N
Mol Weight 218.18 g/mol
Molecular Formula C9H9F3N2O
Exact Mass 218.066697 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 73s491CRRjj
Name 1-Methyl-3-(alpha,alpha,alpha-trifluoro-o-tolyl)urea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.066697406 u
Formula C9H9F3N2O
InChI InChI=1S/C9H9F3N2O/c1-13-8(15)14-7-5-3-2-4-6(7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)
InChIKey PMKIUKNSMDJUSB-UHFFFAOYSA-N
Molecular Weight 218.179 g/mol
SMILES C(F)(F)(F)C=1C(=CC=CC1)NC(NC)=O
Spectrum/Structure Validation Score (Raman) 0.923089