| SpectraBase Compound ID | 6ypRf6rCSqy |
|---|---|
| InChI | InChI=1S/C13H10O3S/c1-16-13(15)10-6-3-2-5-9(10)12(14)11-7-4-8-17-11/h2-8H,1H3 |
| InChIKey | UAYACHKOTIDCAJ-UHFFFAOYSA-N |
| Mol Weight | 246.28 g/mol |
| Molecular Formula | C13H10O3S |
| Exact Mass | 246.035065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2dApXc5BaAN |
|---|---|
| Name | 2-(2-Thenoyl)benzoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.035065353 u |
| Formula | C13H10O3S |
| InChI | InChI=1S/C13H10O3S/c1-16-13(15)10-6-3-2-5-9(10)12(14)11-7-4-8-17-11/h2-8H,1H3 |
| InChIKey | UAYACHKOTIDCAJ-UHFFFAOYSA-N |
| Molecular Weight | 246.280 g/mol |
| SMILES | C(C=1C(C(=O)OC)=CC=CC1)(C=1SC=CC1)=O |