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1,3-BIS-(2-{3-[2-(3-CYANOPROPYL)-TETRAZOL-5-YL]-PROPYL}-TETRAZOL-5-YL)-BENZENE(2-N,2-N')

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1,3-BIS-(2-{3-[2-(3-CYANOPROPYL)-TETRAZOL-5-YL]-PROPYL}-TETRAZOL-5-YL)-BENZENE(2-N,2-N')
SpectraBase Compound ID FtdyJkUaXlj
InChI InChI=1S/C24H28N18/c25-12-1-3-14-39-31-21(27-35-39)10-6-16-41-33-23(29-37-41)19-8-5-9-20(18-19)24-30-38-42(34-24)17-7-11-22-28-36-40(32-22)15-4-2-13-26/h5,8-9,18H,1-4,6-7,10-11,14-17H2
InChIKey AYCBYHKZJONYFZ-UHFFFAOYSA-N
Mol Weight 568.61 g/mol
Molecular Formula C24H28N18
Exact Mass 568.274433 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gqo3yiob2IY
Name 1,3-BIS-(2-{3-[2-(3-CYANOPROPYL)-TETRAZOL-5-YL]-PROPYL}-TETRAZOL-5-YL)-BENZENE(2-N,2-N')
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H28N18
InChI InChI=1S/C24H28N18/c25-12-1-3-14-39-31-21(27-35-39)10-6-16-41-33-23(29-37-41)19-8-5-9-20(18-19)24-30-38-42(34-24)17-7-11-22-28-36-40(32-22)15-4-2-13-26/h5,8-9,18H,1-4,6-7,10-11,14-17H2
InChIKey AYCBYHKZJONYFZ-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 568.607 g/mol
Solvent CDCl3