| SpectraBase Compound ID | 7h8FgpAxUCJ |
|---|---|
| InChI | InChI=1S/C14H13N3O3S/c1-2-13-16-17-14(21-13)15-12(18)6-4-9-3-5-10-11(7-9)20-8-19-10/h3-7H,2,8H2,1H3,(H,15,17,18)/b6-4+ |
| InChIKey | AELGBXFLBXTREY-GQCTYLIASA-N |
| Mol Weight | 303.34 g/mol |
| Molecular Formula | C14H13N3O3S |
| Exact Mass | 303.067762 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KOhmndBOLDu |
|---|---|
| Name | (2E)-3-(1,3-Benzodioxol-5-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propenamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.067762462 u |
| Formula | C14H13N3O3S |
| InChI | InChI=1S/C14H13N3O3S/c1-2-13-16-17-14(21-13)15-12(18)6-4-9-3-5-10-11(7-9)20-8-19-10/h3-7H,2,8H2,1H3,(H,15,17,18)/b6-4+ |
| InChIKey | AELGBXFLBXTREY-GQCTYLIASA-N |
| SMILES | N(C=1SC(CC)=NN1)C(\C=C\C=1C=C2OCOC2=CC1)=O |