![2-Methyl-4H-benzo[d][1,3]oxathiine](/api/spectrum/Es1J1dsfWih/structure.png?h=300&w=458 "2-Methyl-4H-benzo[d][1,3]oxathiine")
| SpectraBase Compound ID | HBY3YpQMRqJ |
|---|---|
| InChI | InChI=1S/C9H10OS/c1-7-10-6-8-4-2-3-5-9(8)11-7/h2-5,7H,6H2,1H3 |
| InChIKey | AYZGWQVDCPXSKB-UHFFFAOYSA-N |
| Mol Weight | 166.24 g/mol |
| Molecular Formula | C9H10OS |
| Exact Mass | 166.045236 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Es1J1dsfWih |
|---|---|
| Name | 2-methyl-4H-3,1-benzoxathiine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H10OS |
| InChI | InChI=1S/C9H10OS/c1-7-10-6-8-4-2-3-5-9(8)11-7/h2-5,7H,6H2,1H3 |
| InChIKey | AYZGWQVDCPXSKB-UHFFFAOYSA-N |
| Instrument Name | Agilent MSD 5973N |
| Ionization Type | EI positive ion |
| Molecular Weight | 166.238 g/mol |
| SMILES | c1cc2c(cc1)SC(OC2)C |
| SPLASH | splash10-00di-3900000000-583a0c1fb888ebc708c9 |
| Source of Spectrum | WO2021073736A1 |
| Wiley ID | 1879991 |