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1,7-BIS-(3-BENZOTHIAZOLIO)-HEPTANE-DIBROMIDE
SpectraBase Compound ID 8bWKP4VzfIJ
InChI InChI=1S/C21H24N2S2.2BrH/c1(2-8-14-22-16-24-20-12-6-4-10-18(20)22)3-9-15-23-17-25-21-13-7-5-11-19(21)23;;/h4-7,10-13,16-17H,1-3,8-9,14-15H2;2*1H/q+2;;/p-2
InChIKey VUDLSIYJVFURLZ-UHFFFAOYSA-L
Mol Weight 528.365 g/mol
Molecular Formula C21H24Br2N2S2
Exact Mass 525.974767 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GhRoLHqwVme
Name 1,7-BIS-(3-BENZOTHIAZOLIO)-HEPTANE-DIBROMIDE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24Br2N2S2
InChI InChI=1S/C21H24N2S2.2BrH/c1(2-8-14-22-16-24-20-12-6-4-10-18(20)22)3-9-15-23-17-25-21-13-7-5-11-19(21)23;;/h4-7,10-13,16-17H,1-3,8-9,14-15H2;2*1H/q+2;;/p-2
InChIKey VUDLSIYJVFURLZ-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 528.363 g/mol
Solvent CDCl3
Source File Reference WANG871