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1-(4-Methyl-2-pyridyl)-2-thio-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 UV-Vis

1-(4-Methyl-2-pyridyl)-2-thio-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea
SpectraBase Compound ID 1UhhFSM2Cre
InChI InChI=1S/C14H12F3N3S/c1-9-5-6-18-12(7-9)20-13(21)19-11-4-2-3-10(8-11)14(15,16)17/h2-8H,1H3,(H2,18,19,20,21)
InChIKey FSUJUFLZGYFLEM-UHFFFAOYSA-N
Mol Weight 311.33 g/mol
Molecular Formula C14H12F3N3S
Exact Mass 311.070403 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6dbTsxxwrC2
Name 1-(4-Methyl-2-pyridyl)-2-thio-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.070403061 u
Formula C14H12F3N3S
InChI InChI=1S/C14H12F3N3S/c1-9-5-6-18-12(7-9)20-13(21)19-11-4-2-3-10(8-11)14(15,16)17/h2-8H,1H3,(H2,18,19,20,21)
InChIKey FSUJUFLZGYFLEM-UHFFFAOYSA-N
Molecular Weight 311.326 g/mol
SMILES N(C1=CC=CC(=C1)C(F)(F)F)C(NC=1N=CC=C(C1)C)=S