![3-Chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzo[B]thien-2-yl)propanamide](/api/spectrum/23VIAkZaPiv/structure.png?h=300&w=458 "3-Chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzo[B]thien-2-yl)propanamide")
| SpectraBase Compound ID | Jd9SEEoY60j |
|---|---|
| InChI | InChI=1S/C12H13ClN2OS/c13-6-5-11(16)15-12-9(7-14)8-3-1-2-4-10(8)17-12/h1-6H2,(H,15,16) |
| InChIKey | OIRKVPMIFKTKMO-UHFFFAOYSA-N |
| Mol Weight | 268.76 g/mol |
| Molecular Formula | C12H13ClN2OS |
| Exact Mass | 268.043712 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 23VIAkZaPiv |
|---|---|
| Name | 3-Chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzo[B]thien-2-yl)propanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.043711920 u |
| Formula | C12H13ClN2OS |
| InChI | InChI=1S/C12H13ClN2OS/c13-6-5-11(16)15-12-9(7-14)8-3-1-2-4-10(8)17-12/h1-6H2,(H,15,16) |
| InChIKey | OIRKVPMIFKTKMO-UHFFFAOYSA-N |
| SMILES | C(CCCl)(=O)NC=1SC=2CCCCC2C1C#N |