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1,5-Bis(2-fluoro-9-acridinylthio)-3-oxa-pentane dication

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1,5-Bis(2-fluoro-9-acridinylthio)-3-oxa-pentane dication
SpectraBase Compound ID DWeUCnqaz4P
InChI InChI=1S/C30H22F2N2OS2/c31-19-9-11-27-23(17-19)29(21-5-1-3-7-25(21)33-27)36-15-13-35-14-16-37-30-22-6-2-4-8-26(22)34-28-12-10-20(32)18-24(28)30/h1-12,17-18H,13-16H2/p+2
InChIKey WJSJOOVPEXWJOZ-UHFFFAOYSA-P
Mol Weight 530.65 g/mol
Molecular Formula C30H24F2N2OS2
Exact Mass 530.129812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JDuGCJgDXRo
Name 1,5-Bis(2-fluoro-9-acridinylthio)-3-oxa-pentane dication
Comments EXTERNAL LOCK
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C30H24F2N2OS2
InChI InChI=1S/C30H22F2N2OS2/c31-19-9-11-27-23(17-19)29(21-5-1-3-7-25(21)33-27)36-15-13-35-14-16-37-30-22-6-2-4-8-26(22)34-28-12-10-20(32)18-24(28)30/h1-12,17-18H,13-16H2/p+2
InChIKey WJSJOOVPEXWJOZ-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