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4-Methylpiperazine-1-carbodithioic acid 3-cyano-3-phenyl-3-(4-bromo-phenyl)-propyl ester
SpectraBase Compound ID DGP9jqcsKQb
InChI InChI=1S/C22H24BrN3S2/c1-25-12-14-26(15-13-25)21(27)28-16-11-22(17-24,18-5-3-2-4-6-18)19-7-9-20(23)10-8-19/h2-10H,11-16H2,1H3
InChIKey WVEJRLNIIZKPDU-UHFFFAOYSA-N
Mol Weight 474.48 g/mol
Molecular Formula C22H24BrN3S2
Exact Mass 473.059503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HH9IJ60uJ1H
Name 4-Methylpiperazine-1-carbodithioic acid 3-cyano-3-phenyl-3-(4-bromo-phenyl)-propyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24BrN3S2
InChI InChI=1S/C22H24BrN3S2/c1-25-12-14-26(15-13-25)21(27)28-16-11-22(17-24,18-5-3-2-4-6-18)19-7-9-20(23)10-8-19/h2-10H,11-16H2,1H3
InChIKey WVEJRLNIIZKPDU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201000259
Molecular Weight 474.479 g/mol
SMILES C1N(CCN(C1)C)C(SCCC(c1ccc(cc1)Br)(c1ccccc1)C#N)=S
SPLASH splash10-00dl-9700000000-2bc51c31ad7e04f76e53
Source of Spectrum APC-344-330-23e
Synonyms 3-(4-bromophenyl)-3-cyano-3-phenylpropyl 4-methylpiperazine-1-carbodithioate 4-Methyl-1-piperazinecarbodithioic acid [3-(4-bromophenyl)-3-cyano-3-phenylpropyl] ester [3-(4-bromophenyl)-3-cyano-3-phenylpropyl] 4-methylpiperazine-1-carbodithioate [3-(4-bromophenyl)-3-cyano-3-phenyl-propyl] 4-methylpiperazine-1-carbodithioate
Wiley ID 1769244