| SpectraBase Compound ID | JqiZVNJSqYw |
|---|---|
| InChI | InChI=1S/C15H14N2O3S/c1-9-10(2)21-15(16-9)17-14(18)6-4-11-3-5-12-13(7-11)20-8-19-12/h3-7H,8H2,1-2H3,(H,16,17,18)/b6-4+ |
| InChIKey | HCRIOJSQDODALI-GQCTYLIASA-N |
| Mol Weight | 302.35 g/mol |
| Molecular Formula | C15H14N2O3S |
| Exact Mass | 302.072513 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8J21XNU6B8B |
|---|---|
| Name | (2E)-3-(1,3-Benzodioxol-5-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-propenamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.072513490 u |
| Formula | C15H14N2O3S |
| InChI | InChI=1S/C15H14N2O3S/c1-9-10(2)21-15(16-9)17-14(18)6-4-11-3-5-12-13(7-11)20-8-19-12/h3-7H,8H2,1-2H3,(H,16,17,18)/b6-4+ |
| InChIKey | HCRIOJSQDODALI-GQCTYLIASA-N |
| SMILES | N(C1=NC(C)=C(S1)C)C(\C=C\C=1C=C2OCOC2=CC1)=O |