| SpectraBase Compound ID | IvSjXprK51u |
|---|---|
| InChI | InChI=1S/C15H14OS/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2 |
| InChIKey | OHMMFCQYKLBWSI-UHFFFAOYSA-N |
| Mol Weight | 242.34 g/mol |
| Molecular Formula | C15H14OS |
| Exact Mass | 242.076536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FQdW6zbeuEL |
|---|---|
| Name | 3-Phenylthiopropionic acid, S-phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.076536244 u |
| Formula | C15H14OS |
| InChI | InChI=1S/C15H14OS/c16-15(17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2 |
| InChIKey | OHMMFCQYKLBWSI-UHFFFAOYSA-N |
| Molecular Weight | 242.336 g/mol |
| SMILES | C1=CC=CC(=C1)SC(=O)CCC1=CC=CC=C1 |