| SpectraBase Spectrum ID |
Dut1acW7aJS |
| Name |
Ibogaine |
| CAS Registry Number |
83-74-9 |
| Classification |
Alkaloid |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| 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/h4-5,10,12-13,15,17,20H,3,6-9,11H2,1-2H3/t12-,13+,15?,17?,20+/m1/s1 |
| InChIKey |
UYXMXRHVRFTGDN-SLGPCTJVSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
310.441 g/mol |
| SMILES |
c1(ccc2N=C3C(CCN4[C@@]5(C3C[C@@](C[C@@]5(CC)[H])(C4)[H])[H])c2c1)OC |
| SPLASH |
splash10-000i-1921000000-0dd5fd03b239cb8dbde4 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_8874 |
