| SpectraBase Compound ID | BYbxgPmBSlx |
|---|---|
| InChI | InChI=1S/C10H13NO2S/c1-13-10(12)8-6-4-2-3-5-7(6)14-9(8)11/h2-5,11H2,1H3 |
| InChIKey | DKYYKIHEIOOWRB-UHFFFAOYSA-N |
| Mol Weight | 211.28 g/mol |
| Molecular Formula | C10H13NO2S |
| Exact Mass | 211.0667 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IF0VESMDBLx |
|---|---|
| Name | Methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.066699835 u |
| Formula | C10H13NO2S |
| InChI | InChI=1S/C10H13NO2S/c1-13-10(12)8-6-4-2-3-5-7(6)14-9(8)11/h2-5,11H2,1H3 |
| InChIKey | DKYYKIHEIOOWRB-UHFFFAOYSA-N |
| Molecular Weight | 211.279 g/mol |
| SMILES | C1CCC2=C(C1)SC(=C2C(OC)=O)N |