| SpectraBase Spectrum ID |
G9NxnBH3BZf |
| Name |
Bicyclo[2.2.2]oct-5-en-2-one, 1,3,4-trimethyl-3-[3-[(4-methylphenyl)sulfonyl]propyl]-, (1.alpha.,3.beta.,4.alpha.)-(.+-.)- |
| Alternate Name(s) |
(1R,3S,4S)-1,3,4-trimethyl-3-{3-[(4-methylphenyl)sulfonyl]propyl}bicyclo[2.2.2]oct-5-en-2-one
(1RS,3RS,4SR)-1,3,4-trimethyl-3-[3'-(p-toluenesulfonyl)propyl]bicyclo[2.2.2]oct-5-en-2-one |
| CAS Registry Number |
124017-14-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O3S |
| InChI |
InChI=1S/C21H28O3S/c1-16-6-8-17(9-7-16)25(23,24)15-5-10-21(4)18(22)19(2)11-13-20(21,3)14-12-19/h6-9,11,13H,5,10,12,14-15H2,1-4H3/t19-,20+,21+/m0/s1 |
| InChIKey |
MGXGSKZOSOXLHS-PWRODBHTSA-N |
| Molecular Weight |
360.512 g/mol |
| SMILES |
c1(S(=O)(=O)CCC[C@@]2(C([C@]3(C)CC[C@]2(C=C3)C)=O)C)ccc(cc1)C |
| SPLASH |
splash10-0a4l-4900000000-355607ca22d8a812aa79 |
| Source of Spectrum |
H-72-590-50 |
| Wiley ID |
1348418 |
![Bicyclo[2.2.2]oct-5-en-2-one, 1,3,4-trimethyl-3-[3-[(4-methylphenyl)sulfonyl]propyl]-, (1.alpha.,3.beta.,4.alpha.)-(.+-.)-](/api/spectrum/G9NxnBH3BZf/structure.png?h=300&w=458 "Bicyclo[2.2.2]oct-5-en-2-one, 1,3,4-trimethyl-3-[3-[(4-methylphenyl)sulfonyl]propyl]-, (1.alpha.,3.beta.,4.alpha.)-(.+-.)-")
