| SpectraBase Spectrum ID |
3IoED7OrvMD |
| Name |
2-[(3aS,4R,5R,7aR)-2,2-dimethyl-4-oxidanyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl]isoindole-1,3-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H17NO5 |
| InChI |
InChI=1S/C17H17NO5/c1-17(2)22-12-8-7-11(13(19)14(12)23-17)18-15(20)9-5-3-4-6-10(9)16(18)21/h3-8,11-14,19H,1-2H3/t11-,12-,13-,14-/m1/s1 |
| InChIKey |
SMSGWJHLEYGUCP-AAVRWANBSA-N |
| Molecular Weight |
315.325 g/mol |
| SMILES |
O[C@]1([C@@]2(OC(C)(C)O[C@@]2(C=C[C@]1(N1C(c2ccccc2C1=O)=O)[H])[H])[H])[H] |
| SPLASH |
splash10-0006-9050000000-d45024f4847664159d79 |
| Source of Spectrum |
KC-0-1790-40 |
| Synonyms |
2-[(3aS,4R,5R,7aR)-4-hydroxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl]isoindole-1,3-dione
2-[(3aS,4R,5R,7aR)-4-hydroxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl]isoindoline-1,3-dione
2-[(3aS,4R,5R,7aR)-4-hydroxy-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl]isoindoline-1,3-quinone |
| Wiley ID |
822659 |
![2-[(3aS,4R,5R,7aR)-2,2-dimethyl-4-oxidanyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl]isoindole-1,3-dione](/api/spectrum/3IoED7OrvMD/structure.png?h=300&w=458 "2-[(3aS,4R,5R,7aR)-2,2-dimethyl-4-oxidanyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-5-yl]isoindole-1,3-dione")
