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5-[1,3-bis[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-yl]-4-methyldithiole-3-thione
SpectraBase Compound ID 3WNieELhmTa
InChI InChI=1S/C29H32F6N4S3/c1-20-26(41-42-27(20)40)21(18-36-8-12-38(13-9-36)24-6-2-4-22(16-24)28(30,31)32)19-37-10-14-39(15-11-37)25-7-3-5-23(17-25)29(33,34)35/h2-7,16-17,21H,8-15,18-19H2,1H3
InChIKey VAFFCRXVTAKHLH-UHFFFAOYSA-N
Mol Weight 646.8 g/mol
Molecular Formula C29H32F6N4S3
Exact Mass 646.16933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5T70M1KGIx2
Name 5-[1,3-bis[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-yl]-4-methyldithiole-3-thione
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H32F6N4S3
InChI InChI=1S/C29H32F6N4S3/c1-20-26(41-42-27(20)40)21(18-36-8-12-38(13-9-36)24-6-2-4-22(16-24)28(30,31)32)19-37-10-14-39(15-11-37)25-7-3-5-23(17-25)29(33,34)35/h2-7,16-17,21H,8-15,18-19H2,1H3
InChIKey VAFFCRXVTAKHLH-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 646.770 g/mol
Solvent CDCl3
Source File Reference UWGE148