| SpectraBase Compound ID | C1WbV167WMW |
|---|---|
| InChI | InChI=1S/C12H13NOS/c1-9(14)13-7-6-10-8-15-12-5-3-2-4-11(10)12/h2-5,8H,6-7H2,1H3,(H,13,14) |
| InChIKey | VECDRHALXOLWFK-UHFFFAOYSA-N |
| Mol Weight | 219.3 g/mol |
| Molecular Formula | C12H13NOS |
| Exact Mass | 219.071785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FNyq8huxK6W |
|---|---|
| Name | 2-(1-Benzothiophene-3-yl)ethylamine ac |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.071785216 u |
| Formula | C12H13NOS |
| InChI | InChI=1S/C12H13NOS/c1-9(14)13-7-6-10-8-15-12-5-3-2-4-11(10)12/h2-5,8H,6-7H2,1H3,(H,13,14) |
| InChIKey | VECDRHALXOLWFK-UHFFFAOYSA-N |
| Molecular Weight | 219.302 g/mol |
| SMILES | C=12C(=CSC2=CC=CC1)CCNC(=O)C |