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1-Benzyl-2-thio-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea

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

1-Benzyl-2-thio-3-(alpha,alpha,alpha-trifluoro-m-tolyl)urea
SpectraBase Compound ID 5SYNCKK8Lo9
InChI InChI=1S/C15H11F3N2OS/c16-15(17,18)11-7-4-8-12(9-11)19-14(22)20-13(21)10-5-2-1-3-6-10/h1-9H,(H2,19,20,21,22)
InChIKey FHPQVWUHWIPMIS-UHFFFAOYSA-N
Mol Weight 324.32 g/mol
Molecular Formula C15H11F3N2OS
Exact Mass 324.054419 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LlzRBZxyGjs
Name 1-Benzyl-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 324.054418644 u
Formula C15H11F3N2OS
InChI InChI=1S/C15H11F3N2OS/c16-15(17,18)11-7-4-8-12(9-11)19-14(22)20-13(21)10-5-2-1-3-6-10/h1-9H,(H2,19,20,21,22)
InChIKey FHPQVWUHWIPMIS-UHFFFAOYSA-N
Molecular Weight 324.321 g/mol
SMILES N(C1=CC=CC(=C1)C(F)(F)F)C(NC(=O)C=1C=CC=CC1)=S