For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-Phenylcarbamoylmethylsulfanyl-N-(3-trifluoromethyl-phenyl)-acetamide

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

2-Phenylcarbamoylmethylsulfanyl-N-(3-trifluoromethyl-phenyl)-acetamide
SpectraBase Compound ID 4Ng3iw6HHP
InChI InChI=1S/C17H15F3N2O2S/c18-17(19,20)12-5-4-8-14(9-12)22-16(24)11-25-10-15(23)21-13-6-2-1-3-7-13/h1-9H,10-11H2,(H,21,23)(H,22,24)
InChIKey ODYMSPUZARYCRZ-UHFFFAOYSA-N
Mol Weight 368.37 g/mol
Molecular Formula C17H15F3N2O2S
Exact Mass 368.080633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BQz63sTg0wA
Name 2-Phenylcarbamoylmethylsulfanyl-N-(3-trifluoromethyl-phenyl)-acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.080633392 u
Formula C17H15F3N2O2S
InChI InChI=1S/C17H15F3N2O2S/c18-17(19,20)12-5-4-8-14(9-12)22-16(24)11-25-10-15(23)21-13-6-2-1-3-7-13/h1-9H,10-11H2,(H,21,23)(H,22,24)
InChIKey ODYMSPUZARYCRZ-UHFFFAOYSA-N
Molecular Weight 368.374 g/mol
SMILES C(C1=CC(NC(=O)CSCC(NC=2C=CC=CC2)=O)=CC=C1)(F)(F)F