| SpectraBase Spectrum ID |
K1SOw7CWRyl |
| Name |
Thieno[2,3-d:5,4-d']diisoxazole, octahydro-2,6-dimethyl-3,5-diphenyl-, 4,4-dioxide, (3.alpha.,3a.alpha.,4a.beta.,5.beta.,7a.beta.,7b.alph a.)- |
| Alternate Name(s) |
(3R,3aS,4aS,5R,7aS,7bS)-2,6-dimethyl-3,5-diphenyloctahydroisoxazolo[5',4':4,5]thieno[2,3-d]isoxazole 4,4-dioxide
2,6-Dimethyl-3.beta.,5.alpha.-diphenyl-2,3.alpha.,3a.beta.,4a.alpha.,5.beta.,6,7a.alpha.,7b.beta.-octahydrothieno[2,3-d:5,4-d']diisoxazole-4,4-dioxide |
| CAS Registry Number |
111916-62-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H22N2O4S |
| InChI |
InChI=1S/C20H22N2O4S/c1-21-15(13-9-5-3-6-10-13)19-17(25-21)18-20(27(19,23)24)16(22(2)26-18)14-11-7-4-8-12-14/h3-12,15-20H,1-2H3/t15-,16-,17+,18+,19+,20+/m1/s1 |
| InChIKey |
PAEYFOVOGRSGJK-MILMJNAHSA-N |
| Molecular Weight |
386.466 g/mol |
| SMILES |
[C@@]12(S([C@@]3([C@]([C@@]2(ON([C@@]1(c1ccccc1)[H])C)[H])(ON([C@@]3(c1ccccc1)[H])C)[H])[H])(=O)=O)[H] |
| SPLASH |
splash10-03di-0901000000-a9dd0ebceedd9ef0b19e |
| Source of Spectrum |
F-42-4667-9 |
| Wiley ID |
1362552 |
![Thieno[2,3-d:5,4-d']diisoxazole, octahydro-2,6-dimethyl-3,5-diphenyl-, 4,4-dioxide, (3.alpha.,3a.alpha.,4a.beta.,5.beta.,7a.beta.,7b.alph a.)-](/api/spectrum/K1SOw7CWRyl/structure.png?h=300&w=458 "Thieno[2,3-d:5,4-d']diisoxazole, octahydro-2,6-dimethyl-3,5-diphenyl-, 4,4-dioxide, (3.alpha.,3a.alpha.,4a.beta.,5.beta.,7a.beta.,7b.alph a.)-")
