![Acetic acid, thio-, S-[2-(phenylthio)ethyl]ester](/api/spectrum/xlIKde9gUH/structure.png?h=300&w=458 "Acetic acid, thio-, S-[2-(phenylthio)ethyl]ester")
| SpectraBase Compound ID | 7AVipFzMkH2 |
|---|---|
| InChI | InChI=1S/C10H12OS2/c1-9(11)12-7-8-13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
| InChIKey | YCADIAZLQOSGEJ-UHFFFAOYSA-N |
| Mol Weight | 212.32 g/mol |
| Molecular Formula | C10H12OS2 |
| Exact Mass | 212.032957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | xlIKde9gUH |
|---|---|
| Name | Acetic acid, thio-, S-[2-(phenylthio)ethyl]ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.032957353 u |
| Formula | C10H12OS2 |
| InChI | InChI=1S/C10H12OS2/c1-9(11)12-7-8-13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
| InChIKey | YCADIAZLQOSGEJ-UHFFFAOYSA-N |
| Molecular Weight | 212.325 g/mol |
| SMILES | C(=O)(SCCSC=1C=CC=CC1)C |