| SpectraBase Compound ID | 1aQG0rvZUHZ |
|---|---|
| InChI | InChI=1S/C9H10O2S/c1-7-2-4-8(5-3-7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11) |
| InChIKey | XCRDQVBOVYWDPH-UHFFFAOYSA-N |
| Mol Weight | 182.24 g/mol |
| Molecular Formula | C9H10O2S |
| Exact Mass | 182.040151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8nLqLdZ6DCe |
|---|---|
| Name | (p-Tolylthio)acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.040150734 u |
| Formula | C9H10O2S |
| InChI | InChI=1S/C9H10O2S/c1-7-2-4-8(5-3-7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11) |
| InChIKey | XCRDQVBOVYWDPH-UHFFFAOYSA-N |
| Molecular Weight | 182.237 g/mol |
| SMILES | C1=C(C=CC(=C1)C)SCC(O)=O |