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1,6-BIS-(3-BENZOTHIAZOLIO)-HEXANE-DIBROMIDE
SpectraBase Compound ID JNJsoh9E0ej
InChI InChI=1S/C20H22N2S2.2BrH/c1(7-13-21-15-23-19-11-5-3-9-17(19)21)2-8-14-22-16-24-20-12-6-4-10-18(20)22;;/h3-6,9-12,15-16H,1-2,7-8,13-14H2;2*1H/q+2;;/p-2
InChIKey DIGWLSHILAKEFE-UHFFFAOYSA-L
Mol Weight 514.338 g/mol
Molecular Formula C20H22Br2N2S2
Exact Mass 511.959117 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9kNuHlmpALI
Name 1,6-BIS-(3-BENZOTHIAZOLIO)-HEXANE-DIBROMIDE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22Br2N2S2
InChI InChI=1S/C20H22N2S2.2BrH/c1(7-13-21-15-23-19-11-5-3-9-17(19)21)2-8-14-22-16-24-20-12-6-4-10-18(20)22;;/h3-6,9-12,15-16H,1-2,7-8,13-14H2;2*1H/q+2;;/p-2
InChIKey DIGWLSHILAKEFE-UHFFFAOYSA-L
Literature Reference Author F.LOPEZ-CALAHORRA,J.CASTELLS,L.DOMINGO,J.MARTI,J.M.BOFILL
Literature Reference Citation HETEROCYCLES,37,1579(1994)
Literature Reference DOI 10.3987/COM-93-S115
Molecular Weight 514.336 g/mol
Solvent CD3OD
Source File Reference WANG870