| SpectraBase Compound ID | FwkNAdzWMrE |
|---|---|
| InChI | InChI=1S/C15H14O2S/c1-12-6-5-7-13(10-12)17-15(16)11-18-14-8-3-2-4-9-14/h2-10H,11H2,1H3 |
| InChIKey | FOTMXUDCRYSQAE-UHFFFAOYSA-N |
| Mol Weight | 258.33 g/mol |
| Molecular Formula | C15H14O2S |
| Exact Mass | 258.071451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | dcvISbwP2r |
|---|---|
| Name | Phenylthioacetic acid, 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.071450863 u |
| Formula | C15H14O2S |
| InChI | InChI=1S/C15H14O2S/c1-12-6-5-7-13(10-12)17-15(16)11-18-14-8-3-2-4-9-14/h2-10H,11H2,1H3 |
| InChIKey | FOTMXUDCRYSQAE-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C=C1)SCC(OC1=CC(C)=CC=C1)=O |