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TRANS-3,4-DICARBAMOYL-2'-(HYDROXYIMINO)-METHYL-1,1'-(BUT-2-ENE-1,4-DIYL)-BISPYRIDINIUM-DIBROMIDE
SpectraBase Compound ID KqmxWrdIMqN
InChI InChI=1S/C17H17N5O3.2BrH/c18-16(23)14-6-10-21(12-15(14)17(19)24)7-3-4-9-22-8-2-1-5-13(22)11-20-25;;/h1-6,8,10-12H,7,9H2,(H3-,18,19,23,24);2*1H/b4-3+;;
InChIKey BUELGEICOCJZIQ-CZEFNJPISA-N
Mol Weight 501.179 g/mol
Molecular Formula C17H19Br2N5O3
Exact Mass 498.985465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9aLs7sceXtr
Name TRANS-3,4-DICARBAMOYL-2'-(HYDROXYIMINO)-METHYL-1,1'-(BUT-2-ENE-1,4-DIYL)-BISPYRIDINIUM-DIBROMIDE
Compound Number K054
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18Br2N5O3
InChI InChI=1S/C17H17N5O3.2BrH/c18-16(23)14-6-10-21(12-15(14)17(19)24)7-3-4-9-22-8-2-1-5-13(22)11-20-25;;/h1-6,8,10-12H,7,9H2,(H3-,18,19,23,24);2*1H/b4-3+;;
InChIKey BUELGEICOCJZIQ-CZEFNJPISA-N
Literature Reference Author K-KUCA,L.MUSILOVA,J.PALECEK,V.CIRKVA,M.PAAR,K.MUSILEK,M.HRAB INOVA,M.POHANKA,J.Z.
Literature Reference Citation MOLECULES,14,4915(2009)
Literature Reference DOI 10.3390/molecules14124915
Molecular Weight 500.170 g/mol
Sample ID 70040
Solvent D2O