| SpectraBase Spectrum ID |
8H3qW3iOnlw |
| Name |
Aripiprazole-M (Deschinolinone) ME |
| Classification |
Pharmaceutical drug metabolite derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
316.110918735 u |
| Formula |
C15H22Cl2N2O |
| InChI |
InChI=1S/C15H22Cl2N2O/c1-20-12-3-2-7-18-8-10-19(11-9-18)14-6-4-5-13(16)15(14)17/h4-6H,2-3,7-12H2,1H3 |
| InChIKey |
PJRCQRNBFFYNGC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
317.260 g/mol |
| Nominal Mass |
316 u |
| Quality |
912 |
| Retention Index |
2347 |
| SMILES |
C=1(N2CCN(CC2)CCCCOC)C(=C(C=CC1)Cl)Cl |
| SPLASH |
splash10-0007-5491000000-734563160eec6819cda7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(2,3-dichlorophenyl)-4-(4-methoxybutyl)piperazine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009199 |
