![2-{[5-(1-ethyl-3-methylpyrazol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetophenone](/api/spectrum/KDdDrWk8Zat/structure.png?h=300&w=458 "2-{[5-(1-ethyl-3-methylpyrazol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetophenone")
| SpectraBase Compound ID | LwK0fzgzLtB |
|---|---|
| InChI | InChI=1S/C22H21N5OS/c1-3-26-19(14-16(2)25-26)21-23-24-22(27(21)18-12-8-5-9-13-18)29-15-20(28)17-10-6-4-7-11-17/h4-14H,3,15H2,1-2H3 |
| InChIKey | SQNRPKPDCDBCSH-UHFFFAOYSA-N |
| Mol Weight | 403.5 g/mol |
| Molecular Formula | C22H21N5OS |
| Exact Mass | 403.146681 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KDdDrWk8Zat |
|---|---|
| Name | 2-{[5-(1-ethyl-3-methylpyrazol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetophenone |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H21N5OS |
| InChI | InChI=1S/C22H21N5OS/c1-3-26-19(14-16(2)25-26)21-23-24-22(27(21)18-12-8-5-9-13-18)29-15-20(28)17-10-6-4-7-11-17/h4-14H,3,15H2,1-2H3 |
| InChIKey | SQNRPKPDCDBCSH-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 59238M |
| Solvent | CDCl3 |