| SpectraBase Compound ID | 3jJUYL1wDbH |
|---|---|
| InChI | InChI=1S/C9H10O2S/c1-12-6-9(11)7-4-2-3-5-8(7)10/h2-5,10H,6H2,1H3 |
| InChIKey | RGEVCWPKBQTLQE-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 | HtDM8gWbG0S |
|---|---|
| Name | Phenol, 2-methylthioacetyl- |
| 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/c1-12-6-9(11)7-4-2-3-5-8(7)10/h2-5,10H,6H2,1H3 |
| InChIKey | RGEVCWPKBQTLQE-UHFFFAOYSA-N |
| Molecular Weight | 182.237 g/mol |
| SMILES | C1=C(C(=CC=C1)O)C(CSC)=O |