| SpectraBase Compound ID | JZilIVZOY0h |
|---|---|
| InChI | InChI=1S/C10H12O2S/c1-8-3-5-9(6-4-8)13-7-10(11)12-2/h3-6H,7H2,1-2H3 |
| InChIKey | OSVDMYOJMLBTIH-UHFFFAOYSA-N |
| Mol Weight | 196.26 g/mol |
| Molecular Formula | C10H12O2S |
| Exact Mass | 196.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5GANHg1nFxo |
|---|---|
| Name | Methyl (p-tolylthio)acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.055800798 u |
| Formula | C10H12O2S |
| InChI | InChI=1S/C10H12O2S/c1-8-3-5-9(6-4-8)13-7-10(11)12-2/h3-6H,7H2,1-2H3 |
| InChIKey | OSVDMYOJMLBTIH-UHFFFAOYSA-N |
| Molecular Weight | 196.264 g/mol |
| SMILES | C(=O)(CSC=1C=CC(=CC1)C)OC |