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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 512.149382 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID C5VdiHFFhoW
Name 3-(p-tert-BUTYLPHENYL)-5-[(p-NITROBENZYL)THIO]-4-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-4H-1,2,4-TRIAZOLE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number SPB 955
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Melting Point 164-166C
Molecular Weight 512.556030
Synonyms TRIAZOLE, 4H-1,2,4-, 3-/P-TERT-BUTYLPHENYL/-5-//P-NITRO- BENZYL/THIO/-4-/A,A,A-TRIFLUORO- M-TOLYL/-,
Technique KBr WAFER