John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=CfV7xoOWfDF SpectraBase Spectrum ID=elid6nndlf

(accessed ).
3-[(p-chlorobenzyl)thio]-4-(alpha,alpha,alpha-trifluoro-o-tolyl)-5-undecyl-4H-1,2,4-triazole
SpectraBase Compound ID CfV7xoOWfDF
InChI InChI=1S/C27H33ClF3N3S/c1-2-3-4-5-6-7-8-9-10-15-25-32-33-26(35-20-21-16-18-22(28)19-17-21)34(25)24-14-12-11-13-23(24)27(29,30)31/h11-14,16-19H,2-10,15,20H2,1H3
InChIKey LEZGQSVFUMXADZ-UHFFFAOYSA-N
Mol Weight 524.1 g/mol
Molecular Formula C27H33ClF3N3S
Exact Mass 523.203583 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID elid6nndlf
Name 3-[(p-CHLOROBENZYL)THIO]-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, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H33ClF3N3S
InChI InChI=1S/C27H33ClF3N3S/c1-2-3-4-5-6-7-8-9-10-15-25-32-33-26(35-20-21-16-18-22(28)19-17-21)34(25)24-14-12-11-13-23(24)27(29,30)31/h11-14,16-19H,2-10,15,20H2,1H3
InChIKey LEZGQSVFUMXADZ-UHFFFAOYSA-N
Melting Point 48-50C
Molecular Weight 524.091980
SpectraBase Batch ID J0d1M4tatac
Synonyms TRIAZOLE, 4H-1,2,4-, 3-//P-CHLORO- BENZYL/THIO/-4-/A,A,A-TRIFLUORO- O-TOLYL/-5-UNDECYL-,
Technique FILM (CAST FROM CHCl3)