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4-Methylpiperazine-1-carbodithioic acid 3-cyano-3-phenyl-3-(4-methoxyphenyl)propyl ester
SpectraBase Compound ID FKtdplRPmZo
InChI InChI=1S/C23H27N3OS2/c1-25-13-15-26(16-14-25)22(28)29-17-12-23(18-24,19-6-4-3-5-7-19)20-8-10-21(27-2)11-9-20/h3-11H,12-17H2,1-2H3
InChIKey MSJNAESMEHBWSV-UHFFFAOYSA-N
Mol Weight 425.61 g/mol
Molecular Formula C23H27N3OS2
Exact Mass 425.159555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5RlTz36wxQu
Name 4-Methylpiperazine-1-carbodithioic acid 3-cyano-3-phenyl-3-(4-methoxyphenyl)propyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27N3OS2
InChI InChI=1S/C23H27N3OS2/c1-25-13-15-26(16-14-25)22(28)29-17-12-23(18-24,19-6-4-3-5-7-19)20-8-10-21(27-2)11-9-20/h3-11H,12-17H2,1-2H3
InChIKey MSJNAESMEHBWSV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201000259
Molecular Weight 425.609 g/mol
SMILES C1N(CCN(C1)C)C(SCCC(c1ccc(cc1)OC)(c1ccccc1)C#N)=S
SPLASH splash10-00dl-9500000000-d95a0ad8ef94011a28c9
Source of Spectrum APC-344-330-23c
Synonyms 3-Cyano-3-(4-methoxyphenyl)-3-phenylpropyl 4-methylpiperazine-1-carbodithioate 4-Methyl-1-piperazinecarbodithioic acid [3-cyano-3-(4-methoxyphenyl)-3-phenylpropyl] ester [3-cyano-3-(4-methoxyphenyl)-3-phenylpropyl] 4-methylpiperazine-1-carbodithioate [3-cyano-3-(4-methoxyphenyl)-3-phenyl-propyl] 4-methylpiperazine-1-carbodithioate
Wiley ID 1769242