| SpectraBase Spectrum ID |
GceEMvbnMdi |
| Name |
(3aS,8R,9R,9aR,9bR)-8-chloro-2-methyl-9-morpholino-1,3-dioxo-4,5,5a,6,7,9,9a,9b-octahydro-3aH-benzo[e]isoindole-8-carbonitrile |
| Appearance |
Colourless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.150619342 u |
| Formula |
C18H24ClN3O3 |
| InChI |
InChI=1S/C18H24ClN3O3/c1-21-16(23)12-3-2-11-4-5-18(19,10-20)15(13(11)14(12)17(21)24)22-6-8-25-9-7-22/h11-15H,2-9H2,1H3/t11?,12-,13+,14-,15+,18-/m0/s1 |
| InChIKey |
WXXIXXQDWYBCOZ-CQNLJDAISA-N |
| Instrument Name |
Agilent HP 6890 series |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201510925 |
| Molecular Weight |
365.861 g/mol |
| Reported Formula |
C18H22N3O3(35)Cl |
| SMILES |
[C@@]12([C@]([C@@](CCC2CC[C@]2([C@@]1(C(N(C2=O)C)=O)[H])[H])(Cl)C#N)(N1CCOCC1)[H])[H] |
| SPLASH |
splash10-01t9-0059000000-1e61a0e0945d90503094 |
| Source of Spectrum |
ACI-55-SM19-SI-8 (DOI: 10.1002/anie.201510925) |
| Thin-Layer Chromatography |
0.31 (hexane/EtOAc/Et3N, 50:50:1) |
| Wiley ID |
1895414 |
![(3aS,8R,9R,9aR,9bR)-8-chloro-2-methyl-9-morpholino-1,3-dioxo-4,5,5a,6,7,9,9a,9b-octahydro-3aH-benzo[e]isoindole-8-carbonitrile](/api/spectrum/GceEMvbnMdi/structure.png?h=300&w=458 "(3aS,8R,9R,9aR,9bR)-8-chloro-2-methyl-9-morpholino-1,3-dioxo-4,5,5a,6,7,9,9a,9b-octahydro-3aH-benzo[e]isoindole-8-carbonitrile")
