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3-{2-[3-(p-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]ETHYL}-4-(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)-DELTA^2-1,2,4-TRIAZOLINE-5-THIONE

View entire compound with spectra: 1 FTIR, and 1 UV-Vis

3-{2-[3-(p-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]ETHYL}-4-(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)-DELTA^2-1,2,4-TRIAZOLINE-5-THIONE
SpectraBase Compound ID 3Ikgq5aGBBz
InChI InChI=1S/C20H12ClF6N5OS/c21-13-3-1-10(2-4-13)17-28-16(33-31-17)6-5-15-29-30-18(34)32(15)14-8-11(19(22,23)24)7-12(9-14)20(25,26)27/h1-4,7-9H,5-6H2,(H,30,34)
InChIKey KWVSWWMSWCHKPW-UHFFFAOYSA-N
Mol Weight 519.85 g/mol
Molecular Formula C20H12ClF6N5OS
Exact Mass 519.035528 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID BKtZbKUHMTR
Name 3-{2-[3-(p-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL]ETHYL}-4-(alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-3,5-XYLYL)-DELTA^2-1,2,4-TRIAZOLINE-5-THIONE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number BTB 2335
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12ClF6N5OS
InChI InChI=1S/C20H12ClF6N5OS/c21-13-3-1-10(2-4-13)17-28-16(33-31-17)6-5-15-29-30-18(34)32(15)14-8-11(19(22,23)24)7-12(9-14)20(25,26)27/h1-4,7-9H,5-6H2,(H,30,34)
InChIKey KWVSWWMSWCHKPW-UHFFFAOYSA-N
Melting Point 211-213C
Molecular Weight 519.859985
Synonyms TRIAZOLINE-5-THIONE, D<2-1,2,4-, 3-/2-/3-/P-CHLOROPHENYL/-1,2,4-OXA- DIAZOL-5-YL/ETHYL/-4-/A,A,A,A*,A*,A*- HEXAFLUORO-3,5-XYLYL/-,
Technique KBr WAFER