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4-methyl-3-(2-methyl-4-thiazolyl)-5-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-4H-1,2,4-triazole
SpectraBase Compound ID 7f952aRA0jr
InChI InChI=1S/C14H10F3N5O2S2/c1-7-18-9(6-25-7)12-19-20-13(21(12)2)26-11-4-3-8(14(15,16)17)5-10(11)22(23)24/h3-6H,1-2H3
InChIKey YWXBLWVXJCYSRO-UHFFFAOYSA-N
Mol Weight 401.38 g/mol
Molecular Formula C14H10F3N5O2S2
Exact Mass 401.022801 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IKiXiuP20a7
Name 4-METHYL-3-(2-METHYL-4-THIAZOLYL)-5-[(2-NITRO-alpha,alpha,alpha-TRIFLUORO-p-TOLYL)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 C14H10F3N5O2S2
InChI InChI=1S/C14H10F3N5O2S2/c1-7-18-9(6-25-7)12-19-20-13(21(12)2)26-11-4-3-8(14(15,16)17)5-10(11)22(23)24/h3-6H,1-2H3
InChIKey YWXBLWVXJCYSRO-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 201-203C
Molecular Weight 401.39
Solvent DMSO-d6; Reference=TMS; Temperature 297K