| SpectraBase Spectrum ID |
JH0aKIr0vfU |
| Name |
Yohimbon |
| CAS Registry Number |
523-14-8 |
| Classification |
Pharmaceutical drug precursor |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
294.173213335 u |
| Formula |
C19H22N2O |
| InChI |
InChI=1S/C19H22N2O/c22-14-6-5-12-11-21-8-7-16-15-3-1-2-4-17(15)20-19(16)18(21)10-13(12)9-14/h1-4,12-13,18,20H,5-11H2/t12-,13-,18-/m0/s1 |
| InChIKey |
LEXXFFUKMREIKL-LXIYXOSZSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
294.398 g/mol |
| Nominal Mass |
294 u |
| Quality |
861 |
| Retention Index |
2583 |
| SMILES |
[C@]12(C3=C(C=4C(N3)=CC=CC4)CCN2C[C@]2([C@](C1)(CC(CC2)=O)[H])[H])[H] |
| SPLASH |
splash10-0006-4490000000-5c8b37728bbd09fcac07 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Yohimban-17-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004269 |
