| SpectraBase Spectrum ID |
DGXXbYaYGtE |
| Name |
(S,S,S)-9-Methyl-9,11a-methylene-6,6a,7,8,9,10,11a,12-octahydroazepino[3,4-b]acridine-11-one |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H20N2O |
| InChI |
InChI=1S/C19H20N2O/c1-18-7-6-14-9-16-13(10-19(14,11-18)17(22)21-18)8-12-4-2-3-5-15(12)20-16/h2-5,8,14H,6-7,9-11H2,1H3,(H,21,22)/t14-,18-,19-/m0/s1 |
| InChIKey |
PTWDSOWVAMRBNU-JVPBZIDWSA-N |
| Instrument Name |
Thermo Scientific DFS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201800931 |
| Molecular Weight |
292.382 g/mol |
| Optical Rotation |
[a]D20 = +27 (c = 0.23 g/L, CH2Cl2) |
| Reported Formula |
C19H20N2O |
| SMILES |
N1[C@]2(CC[C@@]3([C@@](C1=O)(C2)CC1=C(C3)N=C2C(=C1)C=CC=C2)[H])C |
| SPLASH |
splash10-0006-0290000000-b426b5112531f52c36ff |
| Source of Spectrum |
K1-2018-4496-25 (DOI: 10.1002/ejoc.201800931) |
| Thin-Layer Chromatography |
0.43 (SiO2, MTBE) |
| Wiley ID |
1894251 |
![(S,S,S)-9-Methyl-9,11a-methylene-6,6a,7,8,9,10,11a,12-octahydroazepino[3,4-b]acridine-11-one](/api/spectrum/DGXXbYaYGtE/structure.png?h=300&w=458 "(S,S,S)-9-Methyl-9,11a-methylene-6,6a,7,8,9,10,11a,12-octahydroazepino[3,4-b]acridine-11-one")
