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4-methyl-3-(trifluoromethyl)-5-{[p-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole

View entire compound with spectra: 2 NMR, and 1 FTIR

4-methyl-3-(trifluoromethyl)-5-{[p-(trifluoromethyl)benzyl]thio}-4H-1,2,4-triazole
SpectraBase Compound ID Ia1j3lZacpw
InChI InChI=1S/C12H9F6N3S/c1-21-9(12(16,17)18)19-20-10(21)22-6-7-2-4-8(5-3-7)11(13,14)15/h2-5H,6H2,1H3
InChIKey BYYUASHXMXINDH-UHFFFAOYSA-N
Mol Weight 341.28 g/mol
Molecular Formula C12H9F6N3S
Exact Mass 341.042137 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 17VKnOV9Hhn
Name 4-METHYL-3-(TRIFLUOROMETHYL)-5-{[p-(TRIFLUOROMETHYL)BENZYL]THIO}-4H-1,2,4-TRIAZOLE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9F6N3S
InChI InChI=1S/C12H9F6N3S/c1-21-9(12(16,17)18)19-20-10(21)22-6-7-2-4-8(5-3-7)11(13,14)15/h2-5H,6H2,1H3
InChIKey BYYUASHXMXINDH-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 92-94C
Molecular Weight 341.28
Solvent CDCl3; Reference=TMS; Temperature 297K