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1,5-Bis(4-chloro-acridinylthio)-pentane dication

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1,5-Bis(4-chloro-acridinylthio)-pentane dication
SpectraBase Compound ID 5hi75r1qvWC
InChI InChI=1S/C31H24Cl2N2S2/c32-24-14-8-12-22-28(24)34-26-16-4-2-10-20(26)30(22)36-18-6-1-7-19-37-31-21-11-3-5-17-27(21)35-29-23(31)13-9-15-25(29)33/h2-5,8-17H,1,6-7,18-19H2/p+2
InChIKey DFADYPPFVRULAJ-UHFFFAOYSA-P
Mol Weight 561.59 g/mol
Molecular Formula C31H26Cl2N2S2
Exact Mass 560.091447 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4dU017BVIz5
Name 1,5-Bis(4-chloro-acridinylthio)-pentane dication
Comments EXTERNAL LOCK
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H26Cl2N2S2
InChI InChI=1S/C31H24Cl2N2S2/c32-24-14-8-12-22-28(24)34-26-16-4-2-10-20(26)30(22)36-18-6-1-7-19-37-31-21-11-3-5-17-27(21)35-29-23(31)13-9-15-25(29)33/h2-5,8-17H,1,6-7,18-19H2/p+2
InChIKey DFADYPPFVRULAJ-UHFFFAOYSA-P
Instrument Name Bruker AM-200
Literature Reference R. Faure, P. Poulallion, J.P.Galy, Magn. Res. Chem. 23, 991 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CF3COOH