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1-METHYL-5-METHYLSULFONYL-3-(3-TRIFLUOROMETHYLPHENYL)-1H-1,2,4-TRIAZOLE

View entire compound with spectra: 1 NMR

1-METHYL-5-METHYLSULFONYL-3-(3-TRIFLUOROMETHYLPHENYL)-1H-1,2,4-TRIAZOLE
SpectraBase Compound ID LgSM8eRWi2W
InChI InChI=1S/C11H10F3N3S/c1-17-10(18-2)15-9(16-17)7-4-3-5-8(6-7)11(12,13)14/h3-6H,1-2H3
InChIKey AHKUEKRUHRDDIN-UHFFFAOYSA-N
Mol Weight 273.28 g/mol
Molecular Formula C11H10F3N3S
Exact Mass 273.054753 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8rvmpPRKlfa
Name 1-METHYL-5-METHYLSULFONYL-3-(3-TRIFLUOROMETHYLPHENYL)-1H-1,2,4-TRIAZOLE
Compound Number 7B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H10F3N3S
InChI InChI=1S/C11H10F3N3S/c1-17-10(18-2)15-9(16-17)7-4-3-5-8(6-7)11(12,13)14/h3-6H,1-2H3
InChIKey AHKUEKRUHRDDIN-UHFFFAOYSA-N
Literature Reference Author A.S.ALI,J.S.WILKIE,K.N.WINZENBERG
Literature Reference Citation AUSTR.J.CHEM.,50,911(1997)
Literature Reference DOI 10.1071/C97058
Molecular Weight 273.276 g/mol
Solvent CDCl3
Source File Reference UWCS14917