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1,2-BIS-[(6-BROMOHEXYL)-TETRAZOL-5-YL]-BENZENE(1-N,2-N')

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1,2-BIS-[(6-BROMOHEXYL)-TETRAZOL-5-YL]-BENZENE(1-N,2-N')
SpectraBase Compound ID ADub9A365M7
InChI InChI=1S/C20H28Br2N8/c21-13-7-1-3-9-15-29-20(24-26-28-29)18-12-6-5-11-17(18)19-23-27-30(25-19)16-10-4-2-8-14-22/h5-6,11-12H,1-4,7-10,13-16H2
InChIKey KHVYGFLKJYOZGH-UHFFFAOYSA-N
Mol Weight 540.31 g/mol
Molecular Formula C20H28Br2N8
Exact Mass 538.080369 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DrKDXDxxQ9o
Name 1,2-BIS-[(6-BROMOHEXYL)-TETRAZOL-5-YL]-BENZENE(1-N,2-N')
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28Br2N8
InChI InChI=1S/C20H28Br2N8/c21-13-7-1-3-9-15-29-20(24-26-28-29)18-12-6-5-11-17(18)19-23-27-30(25-19)16-10-4-2-8-14-22/h5-6,11-12H,1-4,7-10,13-16H2
InChIKey KHVYGFLKJYOZGH-UHFFFAOYSA-N
Literature Reference Author P.A.BETHEL,M.S.HILL,M.F.MAHON,K.C.MOLLOY
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3507(1999)
Literature Reference DOI 10.1039/a905336k
Molecular Weight 540.304 g/mol
Solvent CDCl3