| SpectraBase Compound ID | AEkekwn03Le |
|---|---|
| InChI | InChI=1S/C11H11NOS/c1-8(13)12-6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7H,6H2,1H3,(H,12,13) |
| InChIKey | QDXDAFOLQLVFGV-UHFFFAOYSA-N |
| Mol Weight | 205.27 g/mol |
| Molecular Formula | C11H11NOS |
| Exact Mass | 205.056135 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EKPpkH7xBaK |
|---|---|
| Name | 1-Benzothiophen-3-ylmethanamine, N-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.056135151 u |
| Formula | C11H11NOS |
| InChI | InChI=1S/C11H11NOS/c1-8(13)12-6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7H,6H2,1H3,(H,12,13) |
| InChIKey | QDXDAFOLQLVFGV-UHFFFAOYSA-N |
| Molecular Weight | 205.275 g/mol |
| SMILES | C1=2SC=C(C2C=CC=C1)CNC(C)=O |