![4-{{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}methyl}-2-phenyl-5-thiazolecarboxylic acid, ethyl ester](/api/spectrum/ApjwHRi5GA4/structure.png?h=300&w=458 "4-{{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}methyl}-2-phenyl-5-thiazolecarboxylic acid, ethyl ester")
| SpectraBase Compound ID | BgkMMPhbxDn |
|---|---|
| InChI | InChI=1S/C17H15F3N4O2S2/c1-3-26-14(25)12-11(21-13(28-12)10-7-5-4-6-8-10)9-27-16-23-22-15(24(16)2)17(18,19)20/h4-8H,3,9H2,1-2H3 |
| InChIKey | YFDUFBJWLQHITN-UHFFFAOYSA-N |
| Mol Weight | 428.45 g/mol |
| Molecular Formula | C17H15F3N4O2S2 |
| Exact Mass | 428.058853 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ApjwHRi5GA4 |
|---|---|
| Name | 4-{{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}methyl}-2-phenyl-5-thiazolecarboxylic acid, ethyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H15F3N4O2S2 |
| InChI | InChI=1S/C17H15F3N4O2S2/c1-3-26-14(25)12-11(21-13(28-12)10-7-5-4-6-8-10)9-27-16-23-22-15(24(16)2)17(18,19)20/h4-8H,3,9H2,1-2H3 |
| InChIKey | YFDUFBJWLQHITN-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 59084M |
| Solvent | CDCl3 |