| SpectraBase Compound ID | CoZVat5hT0q |
|---|---|
| InChI | InChI=1S/C8H8OS/c1-2-4-8-7(3-1)5-9-6-10-8/h1-4H,5-6H2 |
| InChIKey | SUZIOHWPXREKMK-UHFFFAOYSA-N |
| Mol Weight | 152.21 g/mol |
| Molecular Formula | C8H8OS |
| Exact Mass | 152.029586 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KV4KnicJFBY |
|---|---|
| Name | 4H-3,1-Benzoxathiin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H8OS |
| InChI | InChI=1S/C8H8OS/c1-2-4-8-7(3-1)5-9-6-10-8/h1-4H,5-6H2 |
| InChIKey | SUZIOHWPXREKMK-UHFFFAOYSA-N |
| Instrument Name | Agilent MSD 5973N |
| Ionization Type | EI positive ion |
| Molecular Weight | 152.211 g/mol |
| SMILES | c1cc2c(cc1)SCOC2 |
| SPLASH | splash10-0fk9-3900000000-cf1580b96e8a06d9038c |
| Source of Spectrum | WO2021073736A1 |
| Wiley ID | 1879990 |