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5-(o-chlorophenyl)-3-{alpha-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}-m-tolyl}-1,2,4-oxadiazole

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

5-(o-chlorophenyl)-3-{alpha-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}-m-tolyl}-1,2,4-oxadiazole
SpectraBase Compound ID E1UwDIa1KhD
InChI InChI=1S/C19H13ClF3N5OS/c1-28-17(19(21,22)23)25-26-18(28)30-10-11-5-4-6-12(9-11)15-24-16(29-27-15)13-7-2-3-8-14(13)20/h2-9H,10H2,1H3
InChIKey XOEDRTJYGIGKNB-UHFFFAOYSA-N
Mol Weight 451.86 g/mol
Molecular Formula C19H13ClF3N5OS
Exact Mass 451.048143 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EfpyvPf76em
Name 5-(o-CHLOROPHENYL)-3-{alpha-{[4-METHYL-5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL]THIO}-m-TOLYL}-1,2,4-OXADIAZOLE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13ClF3N5OS
InChI InChI=1S/C19H13ClF3N5OS/c1-28-17(19(21,22)23)25-26-18(28)30-10-11-5-4-6-12(9-11)15-24-16(29-27-15)13-7-2-3-8-14(13)20/h2-9H,10H2,1H3
InChIKey XOEDRTJYGIGKNB-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 105-106C
Molecular Weight 451.86
Solvent CDCl3; Reference=TMS; Temperature 297K