| SpectraBase Spectrum ID |
8Icd2DFAdxQ |
| Name |
Quetiapine |
| CAS Registry Number |
111974-69-7 |
| Classification |
Pharmaceutical drug, neuroleptic |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
383.166748229 u |
| Formula |
C21H25N3O2S |
| InChI |
InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2 |
| InChIKey |
URKOMYMAXPYINW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
383.510 g/mol |
| Nominal Mass |
383 u |
| Quality |
976 |
| Retention Index |
3048 |
| SMILES |
OCCOCCN1CCN(C=2C3=C(SC=4C(N2)=CC=CC4)C=CC=C3)CC1 |
| SPLASH |
splash10-03di-2391000000-975672d960de0058fa60 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazine-1-yl]ethoxy)ethanol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025007 |
