| SpectraBase Compound ID | 5pVCpm74mk8 |
|---|---|
| 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 |
| Mol Weight | 310.44 g/mol |
| Molecular Formula | C20H26N2O |
| Exact Mass | 310.204513 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FvZoIZ7WuCk |
|---|---|
| Name | Ibogaine P973 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. 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 |
| Molecular Weight | 310.441 g/mol |
| SMILES | C1(=CC=C2N=C3C(CCN4[C@@]5(C3C[C@@](C[C@@]5(CC)[H])(C4)[H])[H])C2=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.884678 |