| SpectraBase Spectrum ID |
KL5DGeGCoA1 |
| Name |
Quetiapine sulfoxide (artifact) |
| Copyright |
Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| Formula |
C21H26N3O3S |
| InChI |
InChI=1S/C21H25N3O3S/c25-14-16-27-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)28(26)20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2/q+1 |
| InChIKey |
UYEMXZRHECOTLJ-UHFFFAOYSA-N |
| SMILES |
OCCOCCN1CCN(c2nc3ccccc3[s+](c3ccccc23)[O])CC1 |
| SPLASH |
splash10-0a4i-5980000000-47ee3f1b0696fa651696 |
| Source of Spectrum |
Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
