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1,3-{[3-(TETRAZOL-5-YL)-PROPYL]-TETRAZOL-5-YL}-BENZENE-1.5MEOH(2-N,2-N')
SpectraBase Compound ID 1N26W0SsKUY
InChI InChI=1S/C16H18N16/c1-4-11(15-21-29-31(23-15)8-2-6-13-17-25-26-18-13)10-12(5-1)16-22-30-32(24-16)9-3-7-14-19-27-28-20-14/h1,4-5,10H,2-3,6-9H2,(H,17,18,25,26)(H,19,20,27,28)
InChIKey KMAMGHBTIBLESB-UHFFFAOYSA-N
Mol Weight 434.43 g/mol
Molecular Formula C16H18N16
Exact Mass 434.190035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 25QiyxtifIa
Name 1,3-{[3-(TETRAZOL-5-YL)-PROPYL]-TETRAZOL-5-YL}-BENZENE-1.5MEOH(2-N,2-N')
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18N16
InChI InChI=1S/C16H18N16/c1-4-11(15-21-29-31(23-15)8-2-6-13-17-25-26-18-13)10-12(5-1)16-22-30-32(24-16)9-3-7-14-19-27-28-20-14/h1,4-5,10H,2-3,6-9H2,(H,17,18,25,26)(H,19,20,27,28)
InChIKey KMAMGHBTIBLESB-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 434.426 g/mol
Solvent CH3OH-D4