| SpectraBase Spectrum ID |
KUh5KXlcGKx |
| Name |
(3aS,4aR,5R,6R,7R,9aR)-2-methyl-7-morpholino-6-nitro-5-phenyl-3a,4,4a,5,6,7,9,9a-octahydrobenzo[f]isoindole-1,3-dione |
| Appearance |
Yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.195070976 u |
| Formula |
C23H27N3O5 |
| InChI |
InChI=1S/C23H27N3O5/c1-24-22(27)17-11-15-12-19(25-7-9-31-10-8-25)21(26(29)30)20(14-5-3-2-4-6-14)16(15)13-18(17)23(24)28/h2-6,12,16-21H,7-11,13H2,1H3/t16-,17+,18-,19+,20-,21-/m0/s1 |
| InChIKey |
VITMWLKIAWKCBJ-ZJKGHYPUSA-N |
| Instrument Name |
Agilent HP 6890 series |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201510925 |
| Molecular Weight |
425.485 g/mol |
| Quality |
5 |
| Reported Formula |
C23H27N3O5 |
| SMILES |
C=1[C@]([C@@]([C@]([C@@]2(C1C[C@@]1([C@](C2)(C(N(C1=O)C)=O)[H])[H])[H])(C1=CC=CC=C1)[H])([N+]([O-])=O)[H])(N1CCOCC1)[H] |
| SPLASH |
splash10-004i-0190000000-685415e2cc3ccddb647e |
| Source of Spectrum |
ACI-55-SM30-7b (DOI: 10.1002/anie.201510925) |
| Thin-Layer Chromatography |
0.22 (petrol/THF/Et3N, 60:40:1) |
| Wiley ID |
1895410 |
![(3aS,4aR,5R,6R,7R,9aR)-2-methyl-7-morpholino-6-nitro-5-phenyl-3a,4,4a,5,6,7,9,9a-octahydrobenzo[f]isoindole-1,3-dione](/api/spectrum/KUh5KXlcGKx/structure.png?h=300&w=458 "(3aS,4aR,5R,6R,7R,9aR)-2-methyl-7-morpholino-6-nitro-5-phenyl-3a,4,4a,5,6,7,9,9a-octahydrobenzo[f]isoindole-1,3-dione")
