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3-(p-tert-butylphenyl)-4-(p-cumenyl)-5-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-4H-1,2,4-triazole
SpectraBase Compound ID BPx1sjx0EZ6
InChI InChI=1S/C28H27F3N4O2S/c1-17(2)18-8-13-22(14-9-18)34-25(19-6-10-20(11-7-19)27(3,4)5)32-33-26(34)38-24-15-12-21(28(29,30)31)16-23(24)35(36)37/h6-17H,1-5H3
InChIKey SSJOMQPMYXNJPT-UHFFFAOYSA-N
Mol Weight 540.61 g/mol
Molecular Formula C28H27F3N4O2S
Exact Mass 540.180682 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID u9MyyFKk7O
Name 3-(p-tert-BUTYLPHENYL)-4-(p-CUMENYL)-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
Catalog Number SPB 1087
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H27F3N4O2S
InChI InChI=1S/C28H27F3N4O2S/c1-17(2)18-8-13-22(14-9-18)34-25(19-6-10-20(11-7-19)27(3,4)5)32-33-26(34)38-24-15-12-21(28(29,30)31)16-23(24)35(36)37/h6-17H,1-5H3
InChIKey SSJOMQPMYXNJPT-UHFFFAOYSA-N
Melting Point 143-145C
Molecular Weight 540.609985
Synonyms TRIAZOLE, 4H-1,2,4-, 3-/P-TERT-BUTYLPHENYL/-4-/P-CUMENYL/- 5-//2-NITRO-A,A,A-TRIFLUORO-P-TOLYL/- THIO/-,
Technique KBr WAFER