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Piperazine-1-carbodithioic acid 3-cyano-3-phenyl-3-(4-tbutylphenyl)propyl ester
SpectraBase Compound ID 82DhPY8s0os
InChI InChI=1S/C25H31N3S2/c1-24(2,3)20-9-11-22(12-10-20)25(19-26,21-7-5-4-6-8-21)13-18-30-23(29)28-16-14-27-15-17-28/h4-12,27H,13-18H2,1-3H3
InChIKey JLGCOFFTHKEPKQ-UHFFFAOYSA-N
Mol Weight 437.66 g/mol
Molecular Formula C25H31N3S2
Exact Mass 437.19594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID gpScbNsc4h
Name Piperazine-1-carbodithioic acid 3-cyano-3-phenyl-3-(4-tbutylphenyl)propyl ester
Alternate Name(s) 3-(4-(tert-butyl)phenyl)-3-cyano-3-phenylpropyl piperazine-1-carbodithioate 1-Piperazinecarbodithioic acid [3-(4-tert-butylphenyl)-3-cyano-3-phenylpropyl] ester [3-(4-tert-butylphenyl)-3-cyano-3-phenylpropyl] piperazine-1-carbodithioate [3-(4-tert-butylphenyl)-3-cyano-3-phenyl-propyl] piperazine-1-carbodithioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31N3S2
InChI InChI=1S/C25H31N3S2/c1-24(2,3)20-9-11-22(12-10-20)25(19-26,21-7-5-4-6-8-21)13-18-30-23(29)28-16-14-27-15-17-28/h4-12,27H,13-18H2,1-3H3
InChIKey JLGCOFFTHKEPKQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.201000259
Molecular Weight 437.664 g/mol
SMILES N1CCN(CC1)C(SCCC(c1ccc(cc1)C(C)(C)C)(c1ccccc1)C#N)=S
SPLASH splash10-016r-7901000000-eeffac89dff7d03d5dc9
Source of Spectrum APC-344-330-24
Wiley ID 1769245