| SpectraBase Compound ID | 1829uv26AFa |
|---|---|
| InChI | InChI=1S/C15H14O3S/c1-17-12-7-9-13(10-8-12)18-15(16)11-19-14-5-3-2-4-6-14/h2-10H,11H2,1H3 |
| InChIKey | AEJAHBFFBIJZEE-UHFFFAOYSA-N |
| Mol Weight | 274.33 g/mol |
| Molecular Formula | C15H14O3S |
| Exact Mass | 274.066365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G7kkkWE0ktK |
|---|---|
| Name | Phenylthioacetic acid, 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.066365482 u |
| Formula | C15H14O3S |
| InChI | InChI=1S/C15H14O3S/c1-17-12-7-9-13(10-8-12)18-15(16)11-19-14-5-3-2-4-6-14/h2-10H,11H2,1H3 |
| InChIKey | AEJAHBFFBIJZEE-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C=C1)SCC(OC1=CC=C(OC)C=C1)=O |