John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=DQySYj4O9jU SpectraBase Spectrum ID=2bEJGsGZOUI

(accessed ).
(cis/trans) Dothiepin
SpectraBase Compound ID DQySYj4O9jU
InChI InChI=1S/C19H21NS/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 PHTUQLWOUWZIMZ-UHFFFAOYSA-N
Mol Weight 295.44 g/mol
Molecular Formula C19H21NS
Exact Mass 295.139472 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 2bEJGsGZOUI
Name (cis/trans) Dothiepin
Source of Sample Lipomed AG
Catalog Number Free base of DOT-1337-HC
Lot Number Free base of 1337.1B0.1
Accessory DurasamplIR II
Compound Type Pure
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Formula C19H21NS
InChI InChI=1S/C19H21NS/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 PHTUQLWOUWZIMZ-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
SpectraBase Batch ID FG6eidV0noe
Synonyms 3-Dibenzo[b,e]thepin-11(6H)-ylidine-N,N-dimethyl-1-propanamine
Technique ATR-Film (MeCl2) (DuraSamplIR II)