![4'-chloro-2-{[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}acetophenone](/api/spectrum/Ff94JKw5MfE/structure.png?h=300&w=458 "4'-chloro-2-{[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}acetophenone")
| SpectraBase Compound ID | 2FUfQ24qjbQ |
|---|---|
| InChI | InChI=1S/C11H7ClF3N3OS/c12-7-3-1-6(2-4-7)8(19)5-20-10-16-9(17-18-10)11(13,14)15/h1-4H,5H2,(H,16,17,18) |
| InChIKey | OCINOGGSXJAVNU-UHFFFAOYSA-N |
| Mol Weight | 321.71 g/mol |
| Molecular Formula | C11H7ClF3N3OS |
| Exact Mass | 320.995045 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ff94JKw5MfE |
|---|---|
| Name | 4'-chloro-2-{[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio}acetophenone |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H7ClF3N3OS |
| InChI | InChI=1S/C11H7ClF3N3OS/c12-7-3-1-6(2-4-7)8(19)5-20-10-16-9(17-18-10)11(13,14)15/h1-4H,5H2,(H,16,17,18) |
| InChIKey | OCINOGGSXJAVNU-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 59926M |
| Solvent | CDCl3 |