![7,9-Dioxa-8-thiabicyclo[4.3.0]nonane-8-one isomer](/api/spectrum/Eml64qiguDg/structure.png?h=300&w=458 "7,9-Dioxa-8-thiabicyclo[4.3.0]nonane-8-one isomer")
| SpectraBase Compound ID | 6Gz6xNzeQVU |
|---|---|
| InChI | InChI=1S/C6H10O3S/c7-10-8-5-3-1-2-4-6(5)9-10/h5-6H,1-4H2/t5-,6+,10? |
| InChIKey | FKYAVRCOLQKIBY-XFJMKFPZSA-N |
| Mol Weight | 162.2 g/mol |
| Molecular Formula | C6H10O3S |
| Exact Mass | 162.035065 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Eml64qiguDg |
|---|---|
| Name | 7,9-Dioxa-8-thiabicyclo[4.3.0]nonane-8-one isomer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H10O3S |
| InChI | InChI=1S/C6H10O3S/c7-10-8-5-3-1-2-4-6(5)9-10/h5-6H,1-4H2/t5-,6+,10? |
| InChIKey | FKYAVRCOLQKIBY-XFJMKFPZSA-N |
| Molecular Weight | 162.203 g/mol |
| SMILES | [C@]12(OS(O[C@@]1(CCCC2)[H])=O)[H] |
| SPLASH | splash10-004i-9000000000-1da84659f47e3e58fb7f |
| Source of Spectrum | KC-0-865-14 |
| Synonyms | 1,2-Cyclohexanediol, cyclic sulfite, (E)- (3aS,7aR)-Hexahydro-benzo[1,3,2]dioxathiole 2-oxide 1,2-Cyclohexanediol, cyclic sulfite, cis- 1,2-Cyclohexanediol, cyclic sulfite, trans- 3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide trans-1,2-Cyclohexylene sulfite |
| Wiley ID | 821662 |