| SpectraBase Spectrum ID |
1DRoaBqhXJs |
| Name |
(1S,3S,5R)-3-exo-Methyl-3-endo-(p-tolylsulfinyl)methyl-2,4-dioxa-cis-bicyclo[3.3.0]octane |
| Alternate Name(s) |
(3aR,6aS)-2-methyl-2-{[(4-methylphenyl)sulfinyl]methyl}tetrahydro-3aH-cyclopenta[d][1,3]dioxole
(Rs)-3-exo-Methyl-3-endo-(p-tolylsulfinyl)methyl-2,4-dioxa-cis-bicyclo[3.3.0]octane
[(3aR,6aS)-2-methyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-2-yl]methyl 4-methylphenyl sulfoxide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H20O3S |
| InChI |
InChI=1S/C15H20O3S/c1-11-6-8-12(9-7-11)19(16)10-15(2)17-13-4-3-5-14(13)18-15/h6-9,13-14H,3-5,10H2,1-2H3/t13-,14+,15-,19? |
| InChIKey |
OGCPNVFKBJZEEG-MYUHZXPASA-N |
| Molecular Weight |
280.382 g/mol |
| SMILES |
[C@]1(C[S@](c2ccc(cc2)C)=O)(O[C@]2(CCC[C@]2(O1)[H])[H])C |
| SPLASH |
splash10-004i-0900000000-955933b657941f596201 |
| Source of Spectrum |
F-52-6533-4 |
| Wiley ID |
796607 |
![(1S,3S,5R)-3-exo-Methyl-3-endo-(p-tolylsulfinyl)methyl-2,4-dioxa-cis-bicyclo[3.3.0]octane](/api/spectrum/1DRoaBqhXJs/structure.png?h=300&w=458 "(1S,3S,5R)-3-exo-Methyl-3-endo-(p-tolylsulfinyl)methyl-2,4-dioxa-cis-bicyclo[3.3.0]octane")
