| SpectraBase Compound ID | 55P9ykbLfZw |
|---|---|
| InChI | InChI=1S/C13H13NO2S/c15-12(14-11-8-9-17-13(11)16)7-6-10-4-2-1-3-5-10/h1-7,11H,8-9H2,(H,14,15)/b7-6+ |
| InChIKey | GQRRXUHFGGSCQX-VOTSOKGWSA-N |
| Mol Weight | 247.31 g/mol |
| Molecular Formula | C13H13NO2S |
| Exact Mass | 247.0667 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IC4NzumXxXu |
|---|---|
| Name | (2E)-N-(2-Oxotetrahydro-3-thienyl)-3-phenyl-2-propenamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.066699835 u |
| Formula | C13H13NO2S |
| InChI | InChI=1S/C13H13NO2S/c15-12(14-11-8-9-17-13(11)16)7-6-10-4-2-1-3-5-10/h1-7,11H,8-9H2,(H,14,15)/b7-6+ |
| InChIKey | GQRRXUHFGGSCQX-VOTSOKGWSA-N |
| Molecular Weight | 247.312 g/mol |
| SMILES | N(C1C(SCC1)=O)C(\C=C\C=1C=CC=CC1)=O |