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2-(2-imidazolin-2-ylthio)-N-[3-(trifluoromethyl)phenyl]acetamide

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

2-(2-imidazolin-2-ylthio)-N-[3-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 3oZ07Se5WVc
InChI InChI=1S/C12H12F3N3OS/c13-12(14,15)8-2-1-3-9(6-8)18-10(19)7-20-11-16-4-5-17-11/h1-3,6H,4-5,7H2,(H,16,17)(H,18,19)
InChIKey GSRUSEGVJQGBQN-UHFFFAOYSA-N
Mol Weight 303.3 g/mol
Molecular Formula C12H12F3N3OS
Exact Mass 303.065318 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L68KIa2tLBj
Name 2-(2-Imidazolin-2-ylthio)-N-[3-(trifluoromethyl)phenyl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.065317680 u
Formula C12H12F3N3OS
InChI InChI=1S/C12H12F3N3OS/c13-12(14,15)8-2-1-3-9(6-8)18-10(19)7-20-11-16-4-5-17-11/h1-3,6H,4-5,7H2,(H,16,17)(H,18,19)
InChIKey GSRUSEGVJQGBQN-UHFFFAOYSA-N
Molecular Weight 303.303 g/mol
SMILES C(C=1C=C(NC(=O)CSC2=NCCN2)C=CC1)(F)(F)F