| SpectraBase Spectrum ID |
2pNEZrWN3Im |
| Name |
Voacangine |
| CAS Registry Number |
510-22-5 |
| Classification |
Iboga alkaloid |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
368.209992767 u |
| Formula |
C22H28N2O3 |
| InChI |
InChI=1S/C22H28N2O3/c1-4-14-9-13-11-22(21(25)27-3)19-16(7-8-24(12-13)20(14)22)17-10-15(26-2)5-6-18(17)23-19/h5-6,10,13-14,20,23H,4,7-9,11-12H2,1-3H3/t13-,14+,20-,22-/m1/s1 |
| InChIKey |
MMAYTCMMKJYIAM-DWXWKNJNSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
368.477 g/mol |
| Nominal Mass |
368 u |
| Quality |
965 |
| Retention Index |
3025 |
| SMILES |
[C@]12([C@@]3(N(C[C@@](C2)(C[C@@]3(CC)[H])[H])CCC2=C1NC=1C2=CC(=CC1)OC)[H])C(OC)=O |
| SPLASH |
splash10-014r-1944000000-9d511724980155c68d25 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Ibogamine-18-carboxylicacid,12-methoxy-,methyl ester
Methyl 12-methoxyibogamine-18-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013367 |
