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Quetiapine
SpectraBase Compound ID 9UhTCpgtNqy
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
Mol Weight 383.51 g/mol
Molecular Formula C21H25N3O2S
Exact Mass 383.166748 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 9Od9c3L15zA
Name Quetiapine
Source of Sample Lipomed AG
Catalog Number Free base of QUE-1200-FU
Lot Number Free base of 1200.1B0.1
Accessory DurasamplIR II
CAS Registry Number 111974-69-7
Compound Type Pure
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Instrument Name Bio-Rad FTS
Sample Preparation Procedure The hemifumarate salt was dissolved in 0.5 ml water in a test tube, and 1 drop of 30% NaOH solution was added, causing the clear solution to turn cloudy white. 1 ml dichloromethane was added to the test tube, which was shaken thoroughly using a vortex mixer. The test tube was spun in a centrifuge to separate the organic and aqueous layers. The bottom organic layer was retrieved with a pipette and placed in another clean test tube. Most of the solvent was evaporated from the tube using a flow of nitrogen gas, and the remaining solution was used to create a film on the diamond window for ATR-IR.
Source of Spectrum Forensic Spectral Research
Technique ATR-Film (MeCl2) (DuraSamplIR II)