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4-Methylpiperazine-1-carbodithioic acid 3-cyano-3-phenyl-3-(4-t-butylphenyl)propyl ester
SpectraBase Compound ID Cedi5tFtTEm
InChI InChI=1S/C26H33N3S2/c1-25(2,3)21-10-12-23(13-11-21)26(20-27,22-8-6-5-7-9-22)14-19-31-24(30)29-17-15-28(4)16-18-29/h5-13H,14-19H2,1-4H3
InChIKey XBOZKNNWWRNXTK-UHFFFAOYSA-N
Mol Weight 451.7 g/mol
Molecular Formula C26H33N3S2
Exact Mass 451.21159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0kuHRs1ePQ
Name 4-Methylpiperazine-1-carbodithioic acid 3-cyano-3-phenyl-3-(4-t-butylphenyl)propyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H33N3S2
InChI InChI=1S/C26H33N3S2/c1-25(2,3)21-10-12-23(13-11-21)26(20-27,22-8-6-5-7-9-22)14-19-31-24(30)29-17-15-28(4)16-18-29/h5-13H,14-19H2,1-4H3
InChIKey XBOZKNNWWRNXTK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201000259
Molecular Weight 451.691 g/mol
SMILES C1N(CCN(C1)C)C(SCCC(c1ccc(cc1)C(C)(C)C)(c1ccccc1)C#N)=S
SPLASH splash10-00dl-9500000000-2d87bc8aa89f1d08a2a6
Source of Spectrum APC-344-330-23d
Synonyms 3-(4-(tert-butyl)phenyl)-3-cyano-3-phenylpropyl 4-methylpiperazine-1-carbodithioate 4-Methyl-1-piperazinecarbodithioic acid [3-(4-tert-butylphenyl)-3-cyano-3-phenylpropyl] ester [3-(4-tert-butylphenyl)-3-cyano-3-phenylpropyl] 4-methylpiperazine-1-carbodithioate [3-(4-tert-butylphenyl)-3-cyano-3-phenyl-propyl] 4-methylpiperazine-1-carbodithioate
Wiley ID 1769243