| SpectraBase Compound ID | EKEOQIU8VZn |
|---|---|
| InChI | InChI=1S/C8H6O2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3 |
| InChIKey | XHCMJNIDHLSPJW-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 | D4kgWWAzYyl |
|---|---|
| Name | 5-Methyl-1,3-benzoxathiol-2-one |
| CAS Registry Number | 15062-74-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H6O2S |
| InChI | InChI=1S/C8H6O2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3 |
| InChIKey | XHCMJNIDHLSPJW-UHFFFAOYSA-N |
| Molecular Weight | 166.194 g/mol |
| SMILES | C1(Sc2cc(C)ccc2O1)=O |
| SPLASH | splash10-03xr-0900000000-f67da00cb3b67a9c1f3b |
| Source of Spectrum | J-44-1981-0 |
| Wiley ID | 1161991 |