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2-[N'-[3-[[[diethylamino-(2-dimethylammonioethylammonio)methylene]amino]methyl]benzyl]-N,N-diethyl-carbamimidoyl]ammonioethyl-dimethyl-ammonium tetrachloride

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2-[N'-[3-[[[diethylamino-(2-dimethylammonioethylammonio)methylene]amino]methyl]benzyl]-N,N-diethyl-carbamimidoyl]ammonioethyl-dimethyl-ammonium tetrachloride
SpectraBase Compound ID KlOANHcQlUf
InChI InChI=1S/C26H50N8.4ClH/c1-9-33(10-2)25(27-16-18-31(5)6)29-21-23-14-13-15-24(20-23)22-30-26(34(11-3)12-4)28-17-19-32(7)8;;;;/h13-15,20H,9-12,16-19,21-22H2,1-8H3,(H,27,29)(H,28,30);4*1H
InChIKey BXJUJGQUYTULKM-UHFFFAOYSA-N
Mol Weight 620.59 g/mol
Molecular Formula C26H54Cl4N8
Exact Mass 618.322555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HeBcNClObUs
Name 2-[N'-[3-[[[diethylamino-(2-dimethylammonioethylammonio)methylene]amino]methyl]benzyl]-N,N-diethyl-carbamimidoyl]ammonioethyl-dimethyl-ammonium tetrachloride
Compound Number 34
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H54Cl4N8
InChI InChI=1S/C26H50N8.4ClH/c1-9-33(10-2)25(27-16-18-31(5)6)29-21-23-14-13-15-24(20-23)22-30-26(34(11-3)12-4)28-17-19-32(7)8;;;;/h13-15,20H,9-12,16-19,21-22H2,1-8H3,(H,27,29)(H,28,30);4*1H
InChIKey BXJUJGQUYTULKM-UHFFFAOYSA-N
Literature Reference Author H.H.ZEPIK,S.A.BENNER
Literature Reference Citation J.ORG.CHEM.,64,8080(1999)
Literature Reference DOI 10.1021/jo982418+
Molecular Weight 620.580 g/mol
Sample ID 40419
Solvent DMSO-D6