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Ibogaine
SpectraBase Compound ID MLz8s0FMQl
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-MHWYNOHBSA-N
Mol Weight 310.44 g/mol
Molecular Formula C20H26N2O
Exact Mass 310.204513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JSzF6DTvRg
Name Ibogaine
CAS Registry Number 83-74-9
Classification Psychoactive drug
Comments Spectrum verified by independent measurements in external laboratories
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-MHWYNOHBSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 310.441 g/mol
Nominal Mass 310 u
Quality 996
Retention Index 2871
SMILES [C@@]12([C@@]3(C4=C(C=5C(N4)=CC=C(C5)OC)CCN2C[C@@](C3)(C[C@@]1(CC)[H])[H])[H])[H]
SPLASH splash10-01p9-0922000000-a38b5e1bff36050bf11f
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 12-Methoxy-Ibogamine I(-)-7-Ethyl-6,6a,7,8,9,10,12,13-octahydro-2-methoxy-6,9-methano-5H-pyrido[1,2-a]azepino-\r[4,5-b]-indole
Technique GC/MS
Wiley ID DD2024_027629