| SpectraBase Compound ID | HLm3mlI2Wkn |
|---|---|
| InChI | InChI=1S/C14H14O2S/c1-10-5-6-12(8-11(10)2)16-14(15)9-13-4-3-7-17-13/h3-8H,9H2,1-2H3 |
| InChIKey | FMBFPWOOOQJVGZ-UHFFFAOYSA-N |
| Mol Weight | 246.32 g/mol |
| Molecular Formula | C14H14O2S |
| Exact Mass | 246.071451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EAH3l1ZdCFs |
|---|---|
| Name | Thiophene-2-acetic acid, 3,4-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.071450863 u |
| Formula | C14H14O2S |
| InChI | InChI=1S/C14H14O2S/c1-10-5-6-12(8-11(10)2)16-14(15)9-13-4-3-7-17-13/h3-8H,9H2,1-2H3 |
| InChIKey | FMBFPWOOOQJVGZ-UHFFFAOYSA-N |
| Molecular Weight | 246.324 g/mol |
| SMILES | C(C1=CC=CS1)C(=O)OC=1C=C(C(C)=CC1)C |