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N-(2-[5-Dimeaminomethyl-2-furanyl]methyl-thioethyl)-N'-me-2-nitro-1,1-ethenodiamine cation
SpectraBase Compound ID K7smSt44U6l
InChI InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/p+1/b13-9+
InChIKey VMXUWOKSQNHOCA-UKTHLTGXSA-O
Mol Weight 315.41 g/mol
Molecular Formula C13H23N4O3S
Exact Mass 315.149087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D7tgzmsutd5
Name N-(2-[5-Dimeaminomethyl-2-furanyl]methyl-thioethyl)-N'-me-2-nitro-1,1-ethenodiamine cation
Comments PH 5.0, HYDROCHLORIDE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H23N4O3S
InChI InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/p+1/b13-9+
InChIKey VMXUWOKSQNHOCA-UKTHLTGXSA-O
Instrument Name Varian XL-200
Literature Reference C.F. Geraldes, V.M. Gil, M.H. Teixeira, Magn. Res. Chem. 25, 203 (1987).
NMR Standard Dioxane
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O