| SpectraBase Spectrum ID |
7Y6T3SkjHpe |
| Name |
Quetiapine-A (S) AC |
| Classification |
Pharmaceutical drug artifact derivative |
| 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 |
393.205241738 u |
| Formula |
C23H27N3O3 |
| InChI |
InChI=1S/C23H27N3O3/c1-18(27)29-17-16-28-15-14-25-10-12-26(13-11-25)23-21-8-3-2-6-19(21)20-7-4-5-9-22(20)24-23/h2-9H,10-17H2,1H3 |
| InChIKey |
HCCCFUGQCSHONJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
393.487 g/mol |
| Nominal Mass |
393 u |
| Quality |
993 |
| Retention Index |
3165 |
| SMILES |
C=12C(N3CCN(CC3)CCOCCOC(=O)C)=NC=3C(C1C=CC=C2)=CC=CC3 |
| SPLASH |
splash10-0a4i-3690000000-3087bae273d4baf514f0 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(2-(4-(Phenanthridin-6-yl)piperazin-1-yl)ethoxy)ethyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024582 |
