| SpectraBase Compound ID | 10bJRHdBmoS |
|---|---|
| InChI | InChI=1S/C15H13NO3S/c17-15(16-9-12-2-1-7-20-12)6-4-11-3-5-13-14(8-11)19-10-18-13/h1-8H,9-10H2,(H,16,17)/b6-4+ |
| InChIKey | MCMLPWNSXKPOJR-GQCTYLIASA-N |
| Mol Weight | 287.33 g/mol |
| Molecular Formula | C15H13NO3S |
| Exact Mass | 287.061614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Cg6N29liKE |
|---|---|
| Name | (2E)-3-(1,3-Benzodioxol-5-yl)-N-(2-thienylmethyl)-2-propenamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.061614454 u |
| Formula | C15H13NO3S |
| InChI | InChI=1S/C15H13NO3S/c17-15(16-9-12-2-1-7-20-12)6-4-11-3-5-13-14(8-11)19-10-18-13/h1-8H,9-10H2,(H,16,17)/b6-4+ |
| InChIKey | MCMLPWNSXKPOJR-GQCTYLIASA-N |
| Molecular Weight | 287.333 g/mol |
| SMILES | N(C(\C=C\C=1C=C2C(OCO2)=CC1)=O)CC=1SC=CC1 |