SpectraBase Spectrum ID |
JJNYiqYDrjE |
Name |
Ibogamine |
CAS Registry Number |
481-87-8 |
Classification |
Drug addiction treatment |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
280.193948781 u |
Formula |
C19H24N2 |
InChI |
InChI=1S/C19H24N2/c1-2-13-9-12-10-16-18-15(7-8-21(11-12)19(13)16)14-5-3-4-6-17(14)20-18/h3-6,12-13,16,19-20H,2,7-11H2,1H3/t12-,13+,16+,19-/m1/s1 |
InChIKey |
LRLCVRYKAFDXKU-IECZYAKXSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
280.415 g/mol |
Nominal Mass |
280 u |
Quality |
999 |
Retention Index |
2448 |
SMILES |
[C@@]12([C@@]3(C4=C(C=5C(N4)=CC=CC5)CCN2C[C@@](C3)(C[C@@]1(CC)[H])[H])[H])[H] |
SPLASH |
splash10-000j-1920000000-bd29fd3dd11b6a9178b0 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
(4S,4aS,12bR)-4-ethyl-2,3,4,4a,6,7,12,12b-octahydro-1H-2,5-methanoindolo[3,2-d][1]benzazepine |
Technique |
GC/MS |
Wiley ID |
DD2024_009798 |