| SpectraBase Spectrum ID |
5XZMVzrxELQ |
| Name |
Mesembrine |
| CAS Registry Number |
24880-43-1 |
| Classification |
Serotonin reuptake inhibitor (SRI) |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
289.167793602 u |
| Formula |
C17H23NO3 |
| InChI |
InChI=1S/C17H23NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,16H,6-9,11H2,1-3H3/t16-,17-/m1/s1 |
| InChIKey |
DAHIQPJTGIHDGO-IAGOWNOFSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
289.375 g/mol |
| Nominal Mass |
289 u |
| Quality |
990 |
| Retention Index |
2304 |
| SMILES |
[C@]12([C@](N(CC2)C)(CC(CC1)=O)[H])C1=CC(=C(C=C1)OC)OC |
| SPLASH |
splash10-014r-6690000000-8e3b46ba4210ab749754 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(3aS,7aS)-3a-(3,4-Dimethoxyphenyl)-1-methyl-2,3,4,5,7,7a-hexahydroindol-6-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001933 |
