| SpectraBase Compound ID | G0fq2WeTW9n |
|---|---|
| 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-CFDPKNGZSA-N |
| Mol Weight | 310.44 g/mol |
| Molecular Formula | C20H26N2O |
| Exact Mass | 310.204513 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | E2w3WrAWZ6o |
|---|---|
| Name | Ibogaine |
| Catalog Number | 20083 |
| CAS Registry Number | 5934-55-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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-CFDPKNGZSA-N |
| Molecular Weight | 310.441 g/mol |
| SMILES | [nH]1c2c(c3c1ccc(c3)OC)CCN1[C@@]3([C@]2(C[C@](C1)(C[C@@]3(CC)[H])[H])[H])[H] |
| SPLASH | splash10-000i-2921000000-e631ac658570294687f7 |
| Source of Spectrum | CAY-2023-404-0 |
| Wiley ID | 1888370 |