| SpectraBase Compound ID | 3yNVbWuUdst |
|---|---|
| InChI | InChI=1S/C8H6O2S/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-4H,5H2 |
| InChIKey | JLMQWBMFSLPUGF-UHFFFAOYSA-N |
| Mol Weight | 166.19 g/mol |
| Molecular Formula | C8H6O2S |
| Exact Mass | 166.008851 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1f2oDwFwvg8 |
|---|---|
| Name | 4H-3,1-benzoxathiin-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H6O2S |
| InChI | InChI=1S/C8H6O2S/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-4H,5H2 |
| InChIKey | JLMQWBMFSLPUGF-UHFFFAOYSA-N |
| Molecular Weight | 166.194 g/mol |
| SMILES | C1(Sc2ccccc2CO1)=O |
| SPLASH | splash10-00fr-3900000000-245d9111e6ef8b5d3028 |
| Source of Spectrum | SO-0-328-4 |
| Wiley ID | 873505 |