| SpectraBase Spectrum ID |
6xnPk4D2NbF |
| Name |
1H-Isoindole-1,3(2H)-dione, hexahydro-4-(1-hydroxyethyl)-7-methyl-2-phenyl-, [3a.alpha.,4.beta.(R*),7.beta.,7a.alpha.]- |
| CAS Registry Number |
114431-85-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21NO3 |
| InChI |
InChI=1S/C17H21NO3/c1-10-8-9-13(11(2)19)15-14(10)16(20)18(17(15)21)12-6-4-3-5-7-12/h3-7,10-11,13-15,19H,8-9H2,1-2H3/t10-,11-,13+,14-,15+/m1/s1 |
| InChIKey |
ICERLCUAPACSFQ-NXRJPMIISA-N |
| Molecular Weight |
287.359 g/mol |
| SMILES |
O[C@@]([C@]1([C@@]2(C(N(C([C@@]2([C@@](CC1)(C)[H])[H])=O)c1ccccc1)=O)[H])[H])(C)[H] |
| SPLASH |
splash10-0006-9010000000-59329af401ca8b03795d |
| Source of Spectrum |
KC-1989-2028-16 |
| Synonyms |
(3aS,4R,7R,7aR)-4-[(1R)-1-hydroxyethyl]-7-methyl-2-phenylhexahydro-1H-isoindole-1,3(2H)-dione
(4RS,5RS,8SR,9SR)-4,5,6,7,8,9-hexahydro-5-[(1RS)-1-hydroxyethyl]-8-methyl-2-phenylisoindole-1,3-dione |
| Wiley ID |
1290921 |
![1H-Isoindole-1,3(2H)-dione, hexahydro-4-(1-hydroxyethyl)-7-methyl-2-phenyl-, [3a.alpha.,4.beta.(R*),7.beta.,7a.alpha.]-](/api/spectrum/6xnPk4D2NbF/structure.png?h=300&w=458 "1H-Isoindole-1,3(2H)-dione, hexahydro-4-(1-hydroxyethyl)-7-methyl-2-phenyl-, [3a.alpha.,4.beta.(R*),7.beta.,7a.alpha.]-")
