| SpectraBase Compound ID | HaAOPGWZGJt |
|---|---|
| InChI | InChI=1S/C14H12O2S/c15-14(17-13-9-5-2-6-10-13)11-16-12-7-3-1-4-8-12/h1-10H,11H2 |
| InChIKey | PLDPJDJIKCWGDV-UHFFFAOYSA-N |
| Mol Weight | 244.31 g/mol |
| Molecular Formula | C14H12O2S |
| Exact Mass | 244.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3syCipzDdPU |
|---|---|
| Name | Ethanethioic acid, phenoxy-, S-phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.055800798 u |
| Formula | C14H12O2S |
| InChI | InChI=1S/C14H12O2S/c15-14(17-13-9-5-2-6-10-13)11-16-12-7-3-1-4-8-12/h1-10H,11H2 |
| InChIKey | PLDPJDJIKCWGDV-UHFFFAOYSA-N |
| Molecular Weight | 244.308 g/mol |
| SMILES | C(SC=1C=CC=CC1)(=O)COC1=CC=CC=C1 |