| SpectraBase Spectrum ID |
B12uSZuXOEa |
| Name |
(+)-[3aS,4S,7R,7aS.(S)R]-2-Methyl-4-phenyl-7-(p-tolylsulfinyl)-3a,4,7,7a-tetrahydroisodole-1,3-dione |
| Alternate Name(s) |
(3aS,4R,7S,7aS)-2-methyl-4-[(4-methylphenyl)sulfinyl]-7-phenyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H21NO3S |
| InChI |
InChI=1S/C22H21NO3S/c1-14-8-10-16(11-9-14)27(26)18-13-12-17(15-6-4-3-5-7-15)19-20(18)22(25)23(2)21(19)24/h3-13,17-20H,1-2H3/t17-,18-,19+,20+,27?/m1/s1 |
| InChIKey |
ZKXYTQWFIVCDMX-KQLAAARZSA-N |
| Molecular Weight |
379.474 g/mol |
| SMILES |
[C@@]12(C(N(C)C([C@]2([C@@](c2ccccc2)(C=C[C@]1(S(c1ccc(cc1)C)=O)[H])[H])[H])=O)=O)[H] |
| SPLASH |
splash10-0zg3-0930000000-2ea16ae90755ad5b7af4 |
| Source of Spectrum |
J-59-3425-4 |
| Wiley ID |
1359300 |
![(+)-[3aS,4S,7R,7aS.(S)R]-2-Methyl-4-phenyl-7-(p-tolylsulfinyl)-3a,4,7,7a-tetrahydroisodole-1,3-dione](/api/spectrum/B12uSZuXOEa/structure.png?h=300&w=458 "(+)-[3aS,4S,7R,7aS.(S)R]-2-Methyl-4-phenyl-7-(p-tolylsulfinyl)-3a,4,7,7a-tetrahydroisodole-1,3-dione")
