| SpectraBase Compound ID | H0R9TuIdXfi |
|---|---|
| InChI | InChI=1S/C17H16N2O3S/c1-11-4-6-14(23-11)8-12(10-18)17(20)19-15-9-13(21-2)5-7-16(15)22-3/h4-9H,1-3H3,(H,19,20)/b12-8+ |
| InChIKey | JGGZTHAUHQRYBG-XYOKQWHBSA-N |
| Mol Weight | 328.39 g/mol |
| Molecular Formula | C17H16N2O3S |
| Exact Mass | 328.088164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ncD8Ymbm6m |
|---|---|
| Name | (2E)-2-Cyano-N-(2,5-dimethoxyphenyl)-3-(5-methyl-2-thienyl)-2-propenamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.088163554 u |
| Formula | C17H16N2O3S |
| InChI | InChI=1S/C17H16N2O3S/c1-11-4-6-14(23-11)8-12(10-18)17(20)19-15-9-13(21-2)5-7-16(15)22-3/h4-9H,1-3H3,(H,19,20)/b12-8+ |
| InChIKey | JGGZTHAUHQRYBG-XYOKQWHBSA-N |
| SMILES | N(C(\C(=C\C=1SC(C)=CC1)C#N)=O)C1=CC(OC)=CC=C1OC |