| SpectraBase Spectrum ID |
BR61xEsCgYJ |
| Name |
Quetiapine AC |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
425.177312912 u |
| Formula |
C23H27N3O3S |
| InChI |
InChI=1S/C23H27N3O3S/c1-18(27)29-17-16-28-15-14-25-10-12-26(13-11-25)23-19-6-2-4-8-21(19)30-22-9-5-3-7-20(22)24-23/h2-9H,10-17H2,1H3 |
| InChIKey |
PBAGNAROQHNFON-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
425.547 g/mol |
| Nominal Mass |
425 u |
| Quality |
939 |
| Retention Index |
3345 |
| SMILES |
C=1(C2=C(SC=3C(N1)=CC=CC3)C=CC=C2)N1CCN(CC1)CCOCCOC(=O)C |
| SPLASH |
splash10-06rj-1491000000-62ddb29d8c93bcb20eaa |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(2-(4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003829 |
