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_id
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8JR7hLkH43I
spectrumID
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8JR7hLkH43I
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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[N'-[3-[[(dimethylamino-ethylammonio-methylene)amino]methyl]benzyl]-N,N-dimethyl-carbamimidoyl]-ethyl-ammonium dichloride
SpectraBase Compound ID HFYIXO96tJU
InChI InChI=1S/C18H32N6.2ClH/c1-7-19-17(23(3)4)21-13-15-10-9-11-16(12-15)14-22-18(20-8-2)24(5)6;;/h9-12H,7-8,13-14H2,1-6H3,(H,19,21)(H,20,22);2*1H
InChIKey ZNADWTCJCPYNQH-UHFFFAOYSA-N
Mol Weight 405.42 g/mol
Molecular Formula C18H34Cl2N6
Exact Mass 404.222201 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8JR7hLkH43I
Name [N'-[3-[[(dimethylamino-ethylammonio-methylene)amino]methyl]benzyl]-N,N-dimethyl-carbamimidoyl]-ethyl-ammonium dichloride
Compound Number 30
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H34Cl2N6
InChI InChI=1S/C18H32N6.2ClH/c1-7-19-17(23(3)4)21-13-15-10-9-11-16(12-15)14-22-18(20-8-2)24(5)6;;/h9-12H,7-8,13-14H2,1-6H3,(H,19,21)(H,20,22);2*1H
InChIKey ZNADWTCJCPYNQH-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 405.414 g/mol
Sample ID 40416
Solvent DMSO-D6
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