Back to Search
Ibogaine
CAS: 83-74-9 | C20H26N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 83-74-9
- Molecular Formula
- C20H26N2O
Identifiers
CAS Registry Number
83-74-9
SMILES
CCC1CC2CC3c4[nH]c5cc(OC)ccc5c4CCN(C2)C13
InChI
InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-16(6-7-22(11-12)20(13)17)15-5-4-14(23-2)10-18(15)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3
Names and Synonyms
- Ibogaine Common Name
- 12-Methoxyibogamine IUPAC Name
- Iboga alkaloid Synonym
- Endabuse Synonym
- 12-Methoxy-ibogamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
