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3-(p-tert-butylphenyl)-5-[(2-chloro-6-fluorobenzyl)thio]-4-(p-cumenyl)-4H-1,2,4-triazole
SpectraBase Compound ID FKak9WLyZEp
InChI InChI=1S/C28H29ClFN3S/c1-18(2)19-11-15-22(16-12-19)33-26(20-9-13-21(14-10-20)28(3,4)5)31-32-27(33)34-17-23-24(29)7-6-8-25(23)30/h6-16,18H,17H2,1-5H3
InChIKey LHLCXAHYSOFDAB-UHFFFAOYSA-N
Mol Weight 494.07 g/mol
Molecular Formula C28H29ClFN3S
Exact Mass 493.175475 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID FBKYYBMZzSk
Name 3-(p-tert-BUTYLPHENYL)-5-[(2-CHLORO-6-FLUOROBENZYL)THIO]-4-(p-CUMENYL)-4H-1,2,4-TRIAZOLE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number SPB 1085
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29ClFN3S
InChI InChI=1S/C28H29ClFN3S/c1-18(2)19-11-15-22(16-12-19)33-26(20-9-13-21(14-10-20)28(3,4)5)31-32-27(33)34-17-23-24(29)7-6-8-25(23)30/h6-16,18H,17H2,1-5H3
InChIKey LHLCXAHYSOFDAB-UHFFFAOYSA-N
Melting Point 150-152C
Molecular Weight 494.071014
Synonyms TRIAZOLE, 4H-1,2,4-, 3-/P-TERT-BUTYLPHENYL/-5-//2-CHLORO- 6-FLUOROBENZYL/THIO/-4-/P-CUMENYL/-,
Technique KBr WAFER