| SpectraBase Spectrum ID |
KZ86o7HA8V |
| Name |
1(2H)-Pentalenone, hexahydro-3,6a-dimethyl-2-[(4-methylphenyl)sulfinyl]-, (3.alpha.,3a.alpha.,6a.alpha.)-(.+-.)- |
| Alternate Name(s) |
(1RS,4RS,5RS)-1,4-dimethyl-2-(tolylsulfinyl)bicyclo[3.3.0]octan-2-on
(3R,3aR,6aR)-3,6a-dimethyl-2-[(4-methylphenyl)sulfinyl]hexahydro-1(2H)-pentalenone |
| CAS Registry Number |
108613-50-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H22O2S |
| InChI |
InChI=1S/C17H22O2S/c1-11-6-8-13(9-7-11)20(19)15-12(2)14-5-4-10-17(14,3)16(15)18/h6-9,12,14-15H,4-5,10H2,1-3H3/t12-,14-,15?,17-,20?/m1/s1 |
| InChIKey |
ABKBXCJACHNVQC-WXYOZWQCSA-N |
| Molecular Weight |
290.421 g/mol |
| SMILES |
C1(C([C@@]2(CCC[C@@]2([C@]1(C)[H])[H])C)=O)S(c1ccc(cc1)C)=O |
| SPLASH |
splash10-02fx-9820000000-7a78f299a48a4e98f935 |
| Source of Spectrum |
H-69-665-7 |
| Wiley ID |
1293677 |
![1(2H)-Pentalenone, hexahydro-3,6a-dimethyl-2-[(4-methylphenyl)sulfinyl]-, (3.alpha.,3a.alpha.,6a.alpha.)-(.+-.)-](/api/spectrum/KZ86o7HA8V/structure.png?h=300&w=458 "1(2H)-Pentalenone, hexahydro-3,6a-dimethyl-2-[(4-methylphenyl)sulfinyl]-, (3.alpha.,3a.alpha.,6a.alpha.)-(.+-.)-")
