![4'-methyl-2-{[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}acetophenone](/api/spectrum/Dc685sOEKRZ/structure.png?h=300&w=458 "4'-methyl-2-{[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}acetophenone")
| SpectraBase Compound ID | 2Q0bVoFXDXF |
|---|---|
| InChI | InChI=1S/C12H10F3N3OS/c1-7-2-4-8(5-3-7)9(19)6-20-11-16-10(17-18-11)12(13,14)15/h2-5H,6H2,1H3,(H,16,17,18) |
| InChIKey | DGRZJUNWEGSUIF-UHFFFAOYSA-N |
| Mol Weight | 301.29 g/mol |
| Molecular Formula | C12H10F3N3OS |
| Exact Mass | 301.049668 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dc685sOEKRZ |
|---|---|
| Name | 4'-methyl-2-{[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}acetophenone |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H10F3N3OS |
| InChI | InChI=1S/C12H10F3N3OS/c1-7-2-4-8(5-3-7)9(19)6-20-11-16-10(17-18-11)12(13,14)15/h2-5H,6H2,1H3,(H,16,17,18) |
| InChIKey | DGRZJUNWEGSUIF-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 55854M |
| Solvent | Polysol |