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Acetamide, N-(3-trifluoromethylbenzyl)-2-(4-methyl-4H-1,2,4-triazol-3-ylthio)-

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

Acetamide, N-(3-trifluoromethylbenzyl)-2-(4-methyl-4H-1,2,4-triazol-3-ylthio)-
SpectraBase Compound ID CfwI0tvTJuV
InChI InChI=1S/C13H13F3N4OS/c1-20-8-18-19-12(20)22-7-11(21)17-6-9-3-2-4-10(5-9)13(14,15)16/h2-5,8H,6-7H2,1H3,(H,17,21)
InChIKey SGRVEQOPMCNSNJ-UHFFFAOYSA-N
Mol Weight 330.33 g/mol
Molecular Formula C13H13F3N4OS
Exact Mass 330.076217 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4U6Gpo0og5d
Name Acetamide, N-(3-trifluoromethylbenzyl)-2-(4-methyl-4H-1,2,4-triazol-3-ylthio)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 330.076216717 u
Formula C13H13F3N4OS
InChI InChI=1S/C13H13F3N4OS/c1-20-8-18-19-12(20)22-7-11(21)17-6-9-3-2-4-10(5-9)13(14,15)16/h2-5,8H,6-7H2,1H3,(H,17,21)
InChIKey SGRVEQOPMCNSNJ-UHFFFAOYSA-N
Molecular Weight 330.329 g/mol
SMILES C1=CC=C(C(F)(F)F)C=C1CNC(CSC=1N(C=NN1)C)=O