| SpectraBase Compound ID | 8Y0exbTwLzu |
|---|---|
| InChI | InChI=1S/C14H10O2S/c1-9(15)10-6-7-14-12(8-10)16-11-4-2-3-5-13(11)17-14/h2-8H,1H3 |
| InChIKey | FVTOCDRZMDMSRE-UHFFFAOYSA-N |
| Mol Weight | 242.29 g/mol |
| Molecular Formula | C14H10O2S |
| Exact Mass | 242.040151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 19uIv9v3aY5 |
|---|---|
| Name | 3-Acetylphenoxathiin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.040150734 u |
| Formula | C14H10O2S |
| InChI | InChI=1S/C14H10O2S/c1-9(15)10-6-7-14-12(8-10)16-11-4-2-3-5-13(11)17-14/h2-8H,1H3 |
| InChIKey | FVTOCDRZMDMSRE-UHFFFAOYSA-N |
| Molecular Weight | 242.292 g/mol |
| SMILES | C(=O)(C)C1=CC2=C(SC3=C(O2)C=CC=C3)C=C1 |