| SpectraBase Compound ID | BrGZOusHQSt |
|---|---|
| InChI | InChI=1S/C13H12O2S/c1-9-5-6-11(8-10(9)2)15-13(14)12-4-3-7-16-12/h3-8H,1-2H3 |
| InChIKey | UHEUDYVTBPLLIQ-UHFFFAOYSA-N |
| Mol Weight | 232.3 g/mol |
| Molecular Formula | C13H12O2S |
| Exact Mass | 232.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1IMDam7toxB |
|---|---|
| Name | 2-Thiophenecarboxylic acid, 3,4-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.055800798 u |
| Formula | C13H12O2S |
| InChI | InChI=1S/C13H12O2S/c1-9-5-6-11(8-10(9)2)15-13(14)12-4-3-7-16-12/h3-8H,1-2H3 |
| InChIKey | UHEUDYVTBPLLIQ-UHFFFAOYSA-N |
| Molecular Weight | 232.297 g/mol |
| SMILES | C(C1=CC=CS1)(=O)OC=1C=C(C(C)=CC1)C |