John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=EHz2ZEIxiSh SpectraBase Spectrum ID=4zhH4rdszt7

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3-(p-tert-butylphenyl)-5-[(p-nitrobenzyl)thio]-4-(alpha,alpha,alpha-triflioro-m-tolyl)-4H-1,2,4-triazole
SpectraBase Compound ID EHz2ZEIxiSh
InChI InChI=1S/C26H23F3N4O2S/c1-25(2,3)19-11-9-18(10-12-19)23-30-31-24(36-16-17-7-13-21(14-8-17)33(34)35)32(23)22-6-4-5-20(15-22)26(27,28)29/h4-15H,16H2,1-3H3
InChIKey PSNIVCQKGOJHRC-UHFFFAOYSA-N
Mol Weight 512.55 g/mol
Molecular Formula C26H23F3N4O2S
Exact Mass 512.149383 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4zhH4rdszt7
Name 3-(p-tert-butylphenyl)-5-[(p-nitrobenzyl)thio]-4-(alpha,alpha,alpha-triflioro-m-tolyl)-4H-1,2,4-triazole
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Formula C26H23F3N4O2S
InChI InChI=1S/C26H23F3N4O2S/c1-25(2,3)19-11-9-18(10-12-19)23-30-31-24(36-16-17-7-13-21(14-8-17)33(34)35)32(23)22-6-4-5-20(15-22)26(27,28)29/h4-15H,16H2,1-3H3
InChIKey PSNIVCQKGOJHRC-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 46502M
Solvent CDCl3
SpectraBase Batch ID 2rqXA2UjiNG