| SpectraBase Spectrum ID |
5prMaIRKC |
| Name |
(6aS,9R,10aS)-Ethyl 9-Methyl-9-nitro-6,6a,7,8,9,10,10a,11-octahydro-5H-benzo[b]carbazole-10a-carboxylate |
| Appearance |
Brown oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.173607257 u |
| Formula |
C20H24N2O4 |
| InChI |
InChI=1S/C20H24N2O4/c1-3-26-18(23)20-11-15-14-6-4-5-7-16(14)21-17(15)10-13(20)8-9-19(2,12-20)22(24)25/h4-7,13,21H,3,8-12H2,1-2H3/t13-,19+,20-/m0/s1 |
| InChIKey |
UVXBUVRRAKWSCL-SVIJTADQSA-N |
| Instrument Name |
Thermo Scientific DFS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800931 |
| Molecular Weight |
356.422 g/mol |
| Optical Rotation |
[a]D20 = 75 (c = 0.35 g/L, CH2Cl2) |
| Quality |
47 |
| Reported Formula |
C20H24N2O4 |
| SMILES |
N1C2=C(C=3C[C@@]4(C[C@](CC[C@]4(CC13)[H])(C)[N+]([O-])=O)C(OCC)=O)C=CC=C2 |
| SPLASH |
splash10-0a4r-0569000000-3117aeafa814a706d0be |
| Source of Spectrum |
K1-2018-4496-22 (DOI: 10.1002/ejoc.201800931) |
| Thin-Layer Chromatography |
0.41 (SiO2, hexanes/MTBE, 1:2) |
| Wiley ID |
1894249 |
![(6aS,9R,10aS)-Ethyl 9-Methyl-9-nitro-6,6a,7,8,9,10,10a,11-octahydro-5H-benzo[b]carbazole-10a-carboxylate](/api/spectrum/5prMaIRKC/structure.png?h=300&w=458 "(6aS,9R,10aS)-Ethyl 9-Methyl-9-nitro-6,6a,7,8,9,10,10a,11-octahydro-5H-benzo[b]carbazole-10a-carboxylate")
