| SpectraBase Spectrum ID |
5Cy3O5ld41W |
| Name |
Aripiprazole-A |
| Classification |
Pharmaceutical drug artifact |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
163.063328532 u |
| Formula |
C9H9NO2 |
| InChI |
InChI=1S/C9H9NO2/c11-7-3-1-6-2-4-9(12)10-8(6)5-7/h1,3,5,11H,2,4H2,(H,10,12) |
| InChIKey |
LKLSFDWYIBUGNT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
163.176 g/mol |
| Nominal Mass |
163 u |
| Quality |
836 |
| Retention Index |
1329 |
| SMILES |
OC=1C=C2C(=CC1)CCC(N2)=O |
| SPLASH |
splash10-03di-1900000000-4fcbd2950b06959c54d0 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
7-Hydroxy-3,4-dihydrochinolin-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009201 |
