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5-[1,3-bis(4-phenylpiperazin-1-yl)propan-2-yl]-4-methyldithiole-3-thione
SpectraBase Compound ID DTfSV1NEH9s
InChI InChI=1S/C27H34N4S3/c1-22-26(33-34-27(22)32)23(20-28-12-16-30(17-13-28)24-8-4-2-5-9-24)21-29-14-18-31(19-15-29)25-10-6-3-7-11-25/h2-11,23H,12-21H2,1H3
InChIKey BDQLFEOEKTYJLN-UHFFFAOYSA-N
Mol Weight 510.8 g/mol
Molecular Formula C27H34N4S3
Exact Mass 510.194561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9NsVI0iTnZ9
Name 5-[1,3-bis(4-phenylpiperazin-1-yl)propan-2-yl]-4-methyldithiole-3-thione
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H34N4S3
InChI InChI=1S/C27H34N4S3/c1-22-26(33-34-27(22)32)23(20-28-12-16-30(17-13-28)24-8-4-2-5-9-24)21-29-14-18-31(19-15-29)25-10-6-3-7-11-25/h2-11,23H,12-21H2,1H3
InChIKey BDQLFEOEKTYJLN-UHFFFAOYSA-N
Literature Reference Author C.VACCHER,P.BERTHELOT,M.DEBAERT
Literature Reference Citation J.HETCYCL.CHEM.,30,545(1993)
Literature Reference DOI 10.1002/jhet.5570300247
Molecular Weight 510.774 g/mol
Solvent CDCl3
Source File Reference UWGE146