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[N'-[3-[[(amino-ethylammonio-methylene)amino]methyl]benzyl]carbamimidoyl]-ethyl-ammonium diiodide
SpectraBase Compound ID Hwuatw6Jvlq
InChI InChI=1S/C14H24N6.2HI/c1-3-17-13(15)19-9-11-6-5-7-12(8-11)10-20-14(16)18-4-2;;/h5-8H,3-4,9-10H2,1-2H3,(H3,15,17,19)(H3,16,18,20);2*1H
InChIKey HOAVKBHFQSALBF-UHFFFAOYSA-N
Mol Weight 532.213 g/mol
Molecular Formula C14H26I2N6
Exact Mass 532.030835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HCa6sONibQE
Name [N'-[3-[[(amino-ethylammonio-methylene)amino]methyl]benzyl]carbamimidoyl]-ethyl-ammonium diiodide
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H26I2N6
InChI InChI=1S/C14H24N6.2HI/c1-3-17-13(15)19-9-11-6-5-7-12(8-11)10-20-14(16)18-4-2;;/h5-8H,3-4,9-10H2,1-2H3,(H3,15,17,19)(H3,16,18,20);2*1H
InChIKey HOAVKBHFQSALBF-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 532.210 g/mol
Sample ID 40414
Solvent DMSO-D6