| SpectraBase Compound ID | Dkv4vGXWCZM |
|---|---|
| InChI | InChI=1S/C9H8O2S2/c10-7-5-12-8-3-1-2-4-9(8)13(11)6-7/h1-4H,5-6H2 |
| InChIKey | WPMUWFNBSQXSPR-UHFFFAOYSA-N |
| Mol Weight | 212.28 g/mol |
| Molecular Formula | C9H8O2S2 |
| Exact Mass | 211.996572 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6OAiAaLzyGc |
|---|---|
| Name | (1R)-1,5-Benzodithiepane-3-one 1-oxide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H8O2S2 |
| InChI | InChI=1S/C9H8O2S2/c10-7-5-12-8-3-1-2-4-9(8)13(11)6-7/h1-4H,5-6H2 |
| InChIKey | WPMUWFNBSQXSPR-UHFFFAOYSA-N |
| Molecular Weight | 212.281 g/mol |
| SMILES | c12[S@@](CC(CSc2cccc1)=O)=O |
| SPLASH | splash10-0006-0910000000-23fe5639b93aa8709816 |
| Source of Spectrum | J-65-3288-5 |
| Synonyms | 2H-1,5-benzodithiepin-3(4H)-one 1-oxide |
| Wiley ID | 1532252 |