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Buspirone
SpectraBase Compound ID 3lq9qcXS1in
InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
InChIKey QWCRAEMEVRGPNT-UHFFFAOYSA-N
Mol Weight 385.51 g/mol
Molecular Formula C21H31N5O2
Exact Mass 385.247775 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID IyocdCS2uG2
Name Buspirone
Source of Sample Alltech Associates, Inc., Grace Davison Discovery Sciences
Catalog Number Free base of 01593
Lot Number Free base of 398
Accessory DurasamplIR II
CAS Registry Number 36505-84-7
Compound Type Pure
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31N5O2
InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
InChIKey QWCRAEMEVRGPNT-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Sample Preparation Procedure The HCl 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
Synonyms Buspar
Technique ATR-Film (MeCl2) (DuraSamplIR II)