![1-Oxo-3a-hydroxy-7a-methyl-5-spiro[1',3'-dithiane]-indane](/api/spectrum/1q2WklA8SBN/structure.png?h=300&w=458 "1-Oxo-3a-hydroxy-7a-methyl-5-spiro[1',3'-dithiane]-indane")
| SpectraBase Compound ID | GYXpTQ3e7xn |
|---|---|
| InChI | InChI=1S/C13H20O2S2/c1-11-5-6-13(16-7-2-8-17-13)9-12(11,15)4-3-10(11)14/h15H,2-9H2,1H3/t11-,12+/m1/s1 |
| InChIKey | CAWBEXXEYHYCJK-NEPJUHHUSA-N |
| Mol Weight | 272.42 g/mol |
| Molecular Formula | C13H20O2S2 |
| Exact Mass | 272.090472 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1q2WklA8SBN |
|---|---|
| Name | 1-Oxo-3a-hydroxy-7a-methyl-5-spiro[1',3'-dithiane]-indane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H20O2S2 |
| InChI | InChI=1S/C13H20O2S2/c1-11-5-6-13(16-7-2-8-17-13)9-12(11,15)4-3-10(11)14/h15H,2-9H2,1H3/t11-,12+/m1/s1 |
| InChIKey | CAWBEXXEYHYCJK-NEPJUHHUSA-N |
| Molecular Weight | 272.421 g/mol |
| SMILES | O[C@]12[C@@](C(CC2)=O)(CCC2(SCCCS2)C1)C |
| SPLASH | splash10-0229-0590000000-9ac288d372d3e1b47da3 |
| Source of Spectrum | SK-25-1379-3 |
| Synonyms | (3a'S,7a'S)-3a'-hydroxy-7a'-methylhexahydrospiro[1,3-dithiane-2,5'-inden]-1'(4'H)-one (3'aS,7'aS)-3'a-hydroxy-7'a-methyl-1'-spiro[1,3-dithiane-2,5'-3,4,6,7-tetrahydro-2H-indene]one (3'aS,7'aS)-3'a-hydroxy-7'a-methylspiro[1,3-dithiane-2,5'-3,4,6,7-tetrahydro-2H-indene]-1'-one (3'aS,7'aS)-7'a-methyl-3'a-oxidanyl-spiro[1,3-dithiane-2,5'-3,4,6,7-tetrahydro-2H-indene]-1'-one |
| Wiley ID | 866718 |