![1-[(2E)-3-(2-thienyl)-2-propenoyl]hexahydro-1H-azepine](/api/spectrum/BatVxzvWfmH/structure.png?h=300&w=458 "1-[(2E)-3-(2-thienyl)-2-propenoyl]hexahydro-1H-azepine")
| SpectraBase Compound ID | 61CF3ymLXxl |
|---|---|
| InChI | InChI=1S/C13H17NOS/c15-13(8-7-12-6-5-11-16-12)14-9-3-1-2-4-10-14/h5-8,11H,1-4,9-10H2/b8-7+ |
| InChIKey | PIOLTVRSDIIZLW-BQYQJAHWSA-N |
| Mol Weight | 235.34 g/mol |
| Molecular Formula | C13H17NOS |
| Exact Mass | 235.103085 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BatVxzvWfmH |
|---|---|
| Name | 1-[(2E)-3-(2-Thienyl)-2-propenoyl]hexahydro-1H-azepine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.103085344 u |
| Formula | C13H17NOS |
| InChI | InChI=1S/C13H17NOS/c15-13(8-7-12-6-5-11-16-12)14-9-3-1-2-4-10-14/h5-8,11H,1-4,9-10H2/b8-7+ |
| InChIKey | PIOLTVRSDIIZLW-BQYQJAHWSA-N |
| Molecular Weight | 235.345 g/mol |
| SMILES | C(N1CCCCCC1)(\C=C\C=1SC=CC1)=O |