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Doxepin
SpectraBase Compound ID LCvBhfpv7OV
InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3
InChIKey ODQWQRRAPPTVAG-UHFFFAOYSA-N
Mol Weight 279.38 g/mol
Molecular Formula C19H21NO
Exact Mass 279.162314 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 2JHbDkgLvjv
Name Doxepin
Source of Sample Alltech Associates, Inc., Grace Davison Discovery Sciences
Catalog Number Free base of 01362
Lot Number Free base of 965
Accessory DurasamplIR II
CAS Registry Number 1668-19-5
Classification Antidepressant
Compound Type Pure
Copyright Copyright © 2012-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO
InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3
InChIKey ODQWQRRAPPTVAG-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 N,N-Dimethyl-3-dibenz[b,e]oxepin-11-(6H)-ylidene-1-propanamine
Technique ATR-Film (MeCl2) (DuraSamplIR II)