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4-methyl-5-(trifluoromethyl)-2H-1,2,4-triazole-3-thione

View entire compound with spectra: 3 NMR, and 1 MS (GC)

4-methyl-5-(trifluoromethyl)-2H-1,2,4-triazole-3-thione
SpectraBase Compound ID 4Qeayz9PBK6
InChI InChI=1S/C4H4F3N3S/c1-10-2(4(5,6)7)8-9-3(10)11/h1H3,(H,9,11)
InChIKey HUZASKHMPBJXJP-UHFFFAOYSA-N
Mol Weight 183.15 g/mol
Molecular Formula C4H4F3N3S
Exact Mass 183.007803 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LxAFQJ2gXvG
Name 4-Methyl-5-trifluoromethyl-4H-1,2,4-triazoline-3(2H)-thione
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 213551
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H4F3N3S
InChI InChI=1S/C4H4F3N3S/c1-10-2(4(5,6)7)8-9-3(10)11/h1H3,(H,9,11)
InChIKey HUZASKHMPBJXJP-UHFFFAOYSA-N
Molecular Weight 183.152 g/mol
Observed nucleus 13C
Solvent CDCl3 & DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_013383