SpectraBase Compound ID | Ck79Ib6fGrv |
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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 |
SpectraBase Spectrum ID | K92TLeKhgRA |
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Name | 3-[(2-propynyl)thio]-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-5-veratryl-4H-1,2,4-triazole |
Conditions | Neutral |
Copyright | Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C21H19F3N3O2S |
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 |
Sadtler IR Number | 73203 |
Sadtler UV Number | 40620N |
Solvent | Methanol |