![Ethyl benzo[b]thiophene-2-carboxylate](/api/spectrum/AQvVExrtqpS/structure.png?h=300&w=458 "Ethyl benzo[b]thiophene-2-carboxylate")
| SpectraBase Compound ID | KOsuE46CT0C |
|---|---|
| InChI | InChI=1S/C11H10O2S/c1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10/h3-7H,2H2,1H3 |
| InChIKey | PSLMIXGNCNQQRY-UHFFFAOYSA-N |
| Mol Weight | 206.26 g/mol |
| Molecular Formula | C11H10O2S |
| Exact Mass | 206.040151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AQvVExrtqpS |
|---|---|
| Name | Ethylbenzo[B]thiophene-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.040150734 u |
| Formula | C11H10O2S |
| InChI | InChI=1S/C11H10O2S/c1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10/h3-7H,2H2,1H3 |
| InChIKey | PSLMIXGNCNQQRY-UHFFFAOYSA-N |
| Molecular Weight | 206.259 g/mol |
| SMILES | C=1C=CC=2SC(=CC2C1)C(OCC)=O |