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4'-methyl-2-{[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}acetophenone

View entire compound with spectra: 3 NMR, and 1 FTIR

4'-methyl-2-{[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}acetophenone
SpectraBase Compound ID 2Q0bVoFXDXF
InChI InChI=1S/C12H10F3N3OS/c1-7-2-4-8(5-3-7)9(19)6-20-11-16-10(17-18-11)12(13,14)15/h2-5H,6H2,1H3,(H,16,17,18)
InChIKey DGRZJUNWEGSUIF-UHFFFAOYSA-N
Mol Weight 301.29 g/mol
Molecular Formula C12H10F3N3OS
Exact Mass 301.049668 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IaGlv04kSyG
Name 4'-METHYL-2-{[5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL]THIO}ACETOPHENONE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10F3N3OS
InChI InChI=1S/C12H10F3N3OS/c1-7-2-4-8(5-3-7)9(19)6-20-11-16-10(17-18-11)12(13,14)15/h2-5H,6H2,1H3,(H,16,17,18)
InChIKey DGRZJUNWEGSUIF-UHFFFAOYSA-N
Melting Point 157-159C
Molecular Weight 301.29
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms ACETOPHENONE, 4'-METHYL-2-//5-/TRIFLUOROMETHYL/-4H-1,2,4-TRIAZOL-3-YL/THIO/-,