| SpectraBase Compound ID | 5GL4sAQ2Gfi |
|---|---|
| InChI | InChI=1S/C10H10O2S/c1-8(11)13-7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
| InChIKey | YHBPLTWKUZODDY-UHFFFAOYSA-N |
| Mol Weight | 194.25 g/mol |
| Molecular Formula | C10H10O2S |
| Exact Mass | 194.040151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LjfxL09fzYf |
|---|---|
| Name | 2-Acetylthioacetophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.040150734 u |
| Formula | C10H10O2S |
| InChI | InChI=1S/C10H10O2S/c1-8(11)13-7-10(12)9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
| InChIKey | YHBPLTWKUZODDY-UHFFFAOYSA-N |
| Molecular Weight | 194.248 g/mol |
| SMILES | C1=CC=CC(=C1)C(CSC(C)=O)=O |