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(cis/trans) Dothiepin HCl
SpectraBase Compound ID JtA7P0GY9B3
InChI InChI=1S/C19H21NS.ClH/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;1H
InChIKey XUPZAARQDNSRJB-UHFFFAOYSA-N
Mol Weight 331.91 g/mol
Molecular Formula C19H22ClNS
Exact Mass 331.116149 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID Fr0vTVDWjXL
Name (cis/trans) Dothiepin HCl
Source of Sample Lipomed AG
Catalog Number DOT-1337-HC
Lot Number 1337.1B0.1
Accessory DurasamplIR II
CAS Registry Number 897-15-4
Compound Type Pure
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Formula C19H22ClNS
InChI InChI=1S/C19H21NS.ClH/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;1H
InChIKey XUPZAARQDNSRJB-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
Synonyms 3-Dibenzo[b,e]thepin-11(6H)-ylidine-N,N-dimethyl-1-propanamine hydrochloride
Technique ATR-Neat (DuraSamplIR II)