![5-Methyl-4H-benzo[d]-(1,3)-oxathiin-2-one](/api/spectrum/BI4SRo8Bfq/structure.png?h=300&w=458 "5-Methyl-4H-benzo[d]-(1,3)-oxathiin-2-one")
| SpectraBase Compound ID | 4tN16AJjqqg |
|---|---|
| InChI | InChI=1S/C9H8O2S/c1-6-3-2-4-8-7(6)5-11-9(10)12-8/h2-4H,5H2,1H3 |
| InChIKey | LLEQAJMEDANDOV-UHFFFAOYSA-N |
| Mol Weight | 180.22 g/mol |
| Molecular Formula | C9H8O2S |
| Exact Mass | 180.024501 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BI4SRo8Bfq |
|---|---|
| Name | 5-Methyl-4H-benzo[d]-(1,3)-oxathiin-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H8O2S |
| InChI | InChI=1S/C9H8O2S/c1-6-3-2-4-8-7(6)5-11-9(10)12-8/h2-4H,5H2,1H3 |
| InChIKey | LLEQAJMEDANDOV-UHFFFAOYSA-N |
| Molecular Weight | 180.221 g/mol |
| SMILES | C1(Sc2c(CO1)c(ccc2)C)=O |
| SPLASH | splash10-000i-0900000000-f3bf5068995c7d200c3d |
| Source of Spectrum | I-86-123-3b |
| Wiley ID | 1691630 |