![2-{[5-(1-ethyl-3-methylpyrazol-5-yl)-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]thio}acetanilide](/api/spectrum/EK0oiGE4gkL/structure.png?h=300&w=458 "2-{[5-(1-ethyl-3-methylpyrazol-5-yl)-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]thio}acetanilide")
| SpectraBase Compound ID | 2R2BK4jan9F |
|---|---|
| InChI | InChI=1S/C20H26N6O2S/c1-4-26-17(13-15(2)24-26)19-22-23-20(25(19)11-8-12-28-3)29-14-18(27)21-16-9-6-5-7-10-16/h5-7,9-10,13H,4,8,11-12,14H2,1-3H3,(H,21,27) |
| InChIKey | HUYCSAVBBOBIKG-UHFFFAOYSA-N |
| Mol Weight | 414.53 g/mol |
| Molecular Formula | C20H26N6O2S |
| Exact Mass | 414.183795 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EK0oiGE4gkL |
|---|---|
| Name | 2-{[5-(1-ethyl-3-methylpyrazol-5-yl)-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]thio}acetanilide |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H26N6O2S |
| InChI | InChI=1S/C20H26N6O2S/c1-4-26-17(13-15(2)24-26)19-22-23-20(25(19)11-8-12-28-3)29-14-18(27)21-16-9-6-5-7-10-16/h5-7,9-10,13H,4,8,11-12,14H2,1-3H3,(H,21,27) |
| InChIKey | HUYCSAVBBOBIKG-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 58058M |
| Solvent | DMSO-d6 |