| SpectraBase Spectrum ID |
JFbooFpOr4a |
| Name |
Ibogaine |
| CAS Registry Number |
5934-55-4 |
| Classification |
Psychoactive indole alkaloid |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| DEA Citation |
21 CFR §1308.11 (d) (21) |
| DEA Controlled Substance Name |
Ibogaine |
| DEA Controlled Substance Type |
Salts, isomers (whether optical, position, or geometric), and salts of such isomers |
| DEA Controlled Substances Code Number |
7260 |
| DEA Schedule |
Schedule I |
| DEA Section |
Hallucinogenic substances. Unless specifically excepted or unless listed in another schedule, any material, compound, mixture, or preparation, which contains any quantity of the following hallucinogenic substances, or which contains any of its salts, isomers, and salts of isomers whenever the existence of such salts, isomers, and salts of isomers is possible within the specific chemical designation (for purposes of this paragraph only, the term "isomer" includes the optical, position and geometric isomers) |
| Exact Mass |
310.204513464 u |
| Formula |
C20H26N2O |
| InChI |
InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1 |
| InChIKey |
HSIBGVUMFOSJPD-CFDPKNGZSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
310.441 g/mol |
| Nominal Mass |
310 u |
| Quality |
995 |
| Retention Index |
2535 |
| SMILES |
C1=2[C@]3([C@]4(N(C[C@@](C3)(C[C@@]4(CC)[H])[H])CCC2C=2C(N1)=CC=C(C2)OC)[H])[H] |
| SPLASH |
splash10-000i-1921000000-7e5a2baed9f754fbca86 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(4S,12bR)-4-Ethyl-9-methoxy-2,3,4,4a,6,7,12,12b-octahydro-1H-2,5-methanoindolo[3,2-d][1]\rbenzazepine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030863 |
