| SpectraBase Compound ID | GQGFVaMqrsP |
|---|---|
| InChI | InChI=1S/C13H15N3OS/c1-4-5-15-12(17)8-18-13-11(7-14)9(2)6-10(3)16-13/h4,6H,1,5,8H2,2-3H3,(H,15,17) |
| InChIKey | QQJHQONQIZZHKF-UHFFFAOYSA-N |
| Mol Weight | 261.34 g/mol |
| Molecular Formula | C13H15N3OS |
| Exact Mass | 261.093583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 65xy2BlSYlT |
|---|---|
| Name | 2-(3-Cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-N-prop-2-enyl-ethanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.093583288 u |
| Formula | C13H15N3OS |
| InChI | InChI=1S/C13H15N3OS/c1-4-5-15-12(17)8-18-13-11(7-14)9(2)6-10(3)16-13/h4,6H,1,5,8H2,2-3H3,(H,15,17) |
| InChIKey | QQJHQONQIZZHKF-UHFFFAOYSA-N |
| Molecular Weight | 261.343 g/mol |
| SMILES | C1(=C(N=C(C=C1C)C)SCC(=O)NCC=C)C#N |