| SpectraBase Compound ID | CS7Vo5Ggy8t |
|---|---|
| InChI | InChI=1S/C21H28N2O2/c1-4-13-7-12-8-16-20-14(5-6-23(11-12)21(13)16)15-9-18(24-2)19(25-3)10-17(15)22-20/h9-10,12-13,16,21-22H,4-8,11H2,1-3H3/t12-,13+,16+,21+/m1/s1 |
| InChIKey | VLOWUTVRYMTRJO-HHNICDRHSA-N |
| Mol Weight | 340.47 g/mol |
| Molecular Formula | C21H28N2O2 |
| Exact Mass | 340.215078 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EZv34PPO3Z6 |
|---|---|
| Name | Ibogaline |
| Alternate Name(s) | 12,13-Dimethoxyibogamine |
| CAS Registry Number | 482-18-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H28N2O2 |
| InChI | InChI=1S/C21H28N2O2/c1-4-13-7-12-8-16-20-14(5-6-23(11-12)21(13)16)15-9-18(24-2)19(25-3)10-17(15)22-20/h9-10,12-13,16,21-22H,4-8,11H2,1-3H3/t12-,13+,16+,21+/m1/s1 |
| InChIKey | VLOWUTVRYMTRJO-HHNICDRHSA-N |
| Molecular Weight | 340.467 g/mol |
| SMILES | [nH]1c2cc(c(cc2c2c1[C@]1([C@]3(N(CC2)C[C@@](C1)(C[C@@]3(CC)[H])[H])[H])[H])OC)OC |
| SPLASH | splash10-000l-0923000000-04b9e07a08c0c806e7fa |
| Source of Spectrum | CK-5-348-374 |
| Wiley ID | 1335443 |