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4-Methylpiperazine-1-carbodithioic acid 3-cyano-3-phenyl-3-(4-methylphenyl)propyl ester
SpectraBase Compound ID JG4j6KMAlca
InChI InChI=1S/C23H27N3S2/c1-19-8-10-21(11-9-19)23(18-24,20-6-4-3-5-7-20)12-17-28-22(27)26-15-13-25(2)14-16-26/h3-11H,12-17H2,1-2H3
InChIKey BIOLMJYCWMKIHL-UHFFFAOYSA-N
Mol Weight 409.61 g/mol
Molecular Formula C23H27N3S2
Exact Mass 409.16464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJBvtQ1JcvH
Name 4-Methylpiperazine-1-carbodithioic acid 3-cyano-3-phenyl-3-(4-methylphenyl)propyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27N3S2
InChI InChI=1S/C23H27N3S2/c1-19-8-10-21(11-9-19)23(18-24,20-6-4-3-5-7-20)12-17-28-22(27)26-15-13-25(2)14-16-26/h3-11H,12-17H2,1-2H3
InChIKey BIOLMJYCWMKIHL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201000259
Molecular Weight 409.610 g/mol
SMILES C1N(CCN(C1)C)C(SCCC(c1ccc(cc1)C)(c1ccccc1)C#N)=S
SPLASH splash10-00dl-9600000000-d183296894f230713b71
Source of Spectrum APC-344-330-23a
Synonyms 3-Cyano-3-phenyl-3-(p-tolyl)propyl 4-methylpiperazine-1-carbodithioate 4-Methyl-1-piperazinecarbodithioic acid [3-cyano-3-(4-methylphenyl)-3-phenylpropyl] ester [3-cyano-3-(4-methylphenyl)-3-phenylpropyl] 4-methylpiperazine-1-carbodithioate [3-cyano-3-phenyl-3-(p-tolyl)propyl] 4-methylpiperazine-1-carbodithioate [3-cyano-3-(4-methylphenyl)-3-phenyl-propyl] 4-methylpiperazine-1-carbodithioate
Wiley ID 1769240