| SpectraBase Compound ID | 54PG85duuVk |
|---|---|
| InChI | InChI=1S/C14H14O2S/c15-14(11-13-7-4-10-17-13)16-9-8-12-5-2-1-3-6-12/h1-7,10H,8-9,11H2 |
| InChIKey | KVJZWRAMTZUYQH-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 | Ktlre4HXaK5 |
|---|---|
| Name | 2-Thiopheneacetic acid, 2-phenylethyl 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/c15-14(11-13-7-4-10-17-13)16-9-8-12-5-2-1-3-6-12/h1-7,10H,8-9,11H2 |
| InChIKey | KVJZWRAMTZUYQH-UHFFFAOYSA-N |
| Molecular Weight | 246.324 g/mol |
| SMILES | C1=CC=CC=C1CCOC(=O)CC=1SC=CC1 |