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(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 295.139471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FShRYTEkbro
Name Dothiepin
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
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
SMILES c12ccccc1CSc1ccccc1C2=CCCN(C)C
SPLASH splash10-0a4i-9460000000-76b8265469ceae390e08
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences