| SpectraBase Compound ID | HEcBAC4ttEQ |
|---|---|
| InChI | InChI=1S/C12H10O4S/c1-15-11(13)8-5-7-3-4-17-10(7)6-9(8)12(14)16-2/h3-6H,1-2H3 |
| InChIKey | HGEURZTWVZOSIY-UHFFFAOYSA-N |
| Mol Weight | 250.27 g/mol |
| Molecular Formula | C12H10O4S |
| Exact Mass | 250.02998 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5qMR8eM7SdQ |
|---|---|
| Name | 1-Benzothiophene-5,6-dicarboxylic acid dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.029979972 u |
| Formula | C12H10O4S |
| InChI | InChI=1S/C12H10O4S/c1-15-11(13)8-5-7-3-4-17-10(7)6-9(8)12(14)16-2/h3-6H,1-2H3 |
| InChIKey | HGEURZTWVZOSIY-UHFFFAOYSA-N |
| Molecular Weight | 250.268 g/mol |
| SMILES | C=1(C(=CC2=C(C1)C=CS2)C(=O)OC)C(=O)OC |