| SpectraBase Compound ID | DKv2i1u09kp |
|---|---|
| InChI | InChI=1S/C14H12O3S/c1-2-17-14(16)11-7-4-3-6-10(11)13(15)12-8-5-9-18-12/h3-9H,2H2,1H3 |
| InChIKey | YFAXYGOCHJVRPX-UHFFFAOYSA-N |
| Mol Weight | 260.31 g/mol |
| Molecular Formula | C14H12O3S |
| Exact Mass | 260.050715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3f97ptw38mZ |
|---|---|
| Name | 2-(2-Thenoyl)benzoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.050715417 u |
| Formula | C14H12O3S |
| InChI | InChI=1S/C14H12O3S/c1-2-17-14(16)11-7-4-3-6-10(11)13(15)12-8-5-9-18-12/h3-9H,2H2,1H3 |
| InChIKey | YFAXYGOCHJVRPX-UHFFFAOYSA-N |
| Molecular Weight | 260.307 g/mol |
| SMILES | C(C=1C(C(=O)OCC)=CC=CC1)(C=1SC=CC1)=O |