| SpectraBase Compound ID | GpRUWChsRpR |
|---|---|
| InChI | InChI=1S/C12H10O3S/c13-10-5-1-2-6-11(10)15-12(14)8-9-4-3-7-16-9/h1-7,13H,8H2 |
| InChIKey | HMFBSALEQUDYJS-UHFFFAOYSA-N |
| Mol Weight | 234.27 g/mol |
| Molecular Formula | C12H10O3S |
| Exact Mass | 234.035065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5DNJHr4SCxC |
|---|---|
| Name | 1,2-Benzenediol, o-(thiophen-2-acetyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.035065353 u |
| Formula | C12H10O3S |
| InChI | InChI=1S/C12H10O3S/c13-10-5-1-2-6-11(10)15-12(14)8-9-4-3-7-16-9/h1-7,13H,8H2 |
| InChIKey | HMFBSALEQUDYJS-UHFFFAOYSA-N |
| Molecular Weight | 234.269 g/mol |
| SMILES | C1(=CC=CC=C1OC(CC1=CC=CS1)=O)O |