| SpectraBase Compound ID | 8OJtBgeI3oL |
|---|---|
| InChI | InChI=1S/C10H7NS/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5H2 |
| InChIKey | DEELHLMCCWZFFE-UHFFFAOYSA-N |
| Mol Weight | 173.23 g/mol |
| Molecular Formula | C10H7NS |
| Exact Mass | 173.02992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4gFT9mvbGRE |
|---|---|
| Name | Benzo[B]thiophene-3-acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.029920403 u |
| Formula | C10H7NS |
| InChI | InChI=1S/C10H7NS/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5H2 |
| InChIKey | DEELHLMCCWZFFE-UHFFFAOYSA-N |
| Molecular Weight | 173.233 g/mol |
| SMILES | C=12C=CC=CC1SC=C2CC#N |