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3-(benzylthio)-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-5-undecyl-4H-1,2,4-triazole
SpectraBase Compound ID J6rsmWQ4iGY
InChI InChI=1S/C27H34F3N3S/c1-2-3-4-5-6-7-8-9-13-20-25-31-32-26(34-21-22-16-11-10-12-17-22)33(25)24-19-15-14-18-23(24)27(28,29)30/h10-12,14-19H,2-9,13,20-21H2,1H3
InChIKey DJRFNFWLXLVXGS-UHFFFAOYSA-N
Mol Weight 489.6 g/mol
Molecular Formula C27H34F3N3S
Exact Mass 489.242554 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID LEW7ohJxhWH
Name 3-(BENZYLTHIO)-4-(alpha,alpha,alpha-TRIFLUORO-o-TOLYL)-5-UNDECYL-4H-1,2,4-TRIAZOLE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34F3N3S
InChI InChI=1S/C27H34F3N3S/c1-2-3-4-5-6-7-8-9-13-20-25-31-32-26(34-21-22-16-11-10-12-17-22)33(25)24-19-15-14-18-23(24)27(28,29)30/h10-12,14-19H,2-9,13,20-21H2,1H3
InChIKey DJRFNFWLXLVXGS-UHFFFAOYSA-N
Melting Point 44-46C
Molecular Weight 489.649994
Synonyms TRIAZOLE, 4H-1,2,4-, 3-/BENZYL- THIO/-4-/A,A,A-TRIFLUORO-O-TOLYL/- 5-UNDECYL-,
Technique FILM (CAST FROM CHCl3)