| SpectraBase Spectrum ID |
3R1I0LaMYy |
| Name |
Quetiapine AC |
| Classification |
Neuroleptic |
| Copyright |
Copyright © 2023-2024 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 |
| SMILES |
CC(OCCOCCN1CCN(C=2c3ccccc3Sc3ccccc3N2)CC1)=O |
| SPLASH |
splash10-01p9-2491000000-6f5109de29b9778e4700 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: U+UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_6431 |
