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3-[(2-propyl)thio]-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-5-veratryl-4H-1,2,4-triazole
SpectraBase Compound ID Ck79Ib6fGrv
InChI InChI=1S/C21H18F3N3O2S/c1-4-10-30-20-26-25-19(12-14-8-9-17(28-2)18(11-14)29-3)27(20)16-7-5-6-15(13-16)21(22,23)24/h1,5-9,11,13H,10,12H2,2-3H3
InChIKey SWKJFGJIEWEQPY-UHFFFAOYSA-N
Mol Weight 433.45 g/mol
Molecular Formula C21H18F3N3O2S
Exact Mass 433.107182 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID H9U9RRNYYVg
Name 3-[(2-PROPYNYL)THIO]-4-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-5-VERATRYL-4H-1,2,4-TRIAZOLE
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number O 5
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18F3N3O2S
InChI InChI=1S/C21H18F3N3O2S/c1-4-10-30-20-26-25-19(12-14-8-9-17(28-2)18(11-14)29-3)27(20)16-7-5-6-15(13-16)21(22,23)24/h1,5-9,11,13H,10,12H2,2-3H3
InChIKey SWKJFGJIEWEQPY-UHFFFAOYSA-N
Melting Point 120C
Molecular Weight 433.454010
Synonyms TRIAZOLE, 4H-1,2,4-, 3-//2-PROPYNYL/THIO/-4-/A,A,A-TRI- FLUORO-M-TOLYL/-5-VERATRYL-,
Technique KBr WAFER