![2-{[5-(1-ethyl-3-methylpyrazol-5-yl)-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]thio}acetophenone](/api/spectrum/AsYDD8jjI4O/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}acetophenone")
| SpectraBase Compound ID | HE498rQNWoR |
|---|---|
| InChI | InChI=1S/C20H25N5O2S/c1-4-25-17(13-15(2)23-25)19-21-22-20(24(19)11-8-12-27-3)28-14-18(26)16-9-6-5-7-10-16/h5-7,9-10,13H,4,8,11-12,14H2,1-3H3 |
| InChIKey | KJYCYDQLLJEOAU-UHFFFAOYSA-N |
| Mol Weight | 399.51 g/mol |
| Molecular Formula | C20H25N5O2S |
| Exact Mass | 399.172896 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AsYDD8jjI4O |
|---|---|
| Name | 2-{[5-(1-ethyl-3-methylpyrazol-5-yl)-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]thio}acetophenone |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H25N5O2S |
| InChI | InChI=1S/C20H25N5O2S/c1-4-25-17(13-15(2)23-25)19-21-22-20(24(19)11-8-12-27-3)28-14-18(26)16-9-6-5-7-10-16/h5-7,9-10,13H,4,8,11-12,14H2,1-3H3 |
| InChIKey | KJYCYDQLLJEOAU-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 59242M |
| Solvent | CDCl3 |