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3-Methoxy-4-hydroxy-benzoic acid, guanidino-butyl ester cation

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3-Methoxy-4-hydroxy-benzoic acid, guanidino-butyl ester cation
SpectraBase Compound ID D4BHD98NNMA
InChI InChI=1S/C13H19N3O4/c1-19-11-8-9(4-5-10(11)17)12(18)20-7-3-2-6-16-13(14)15/h4-5,8,17H,2-3,6-7H2,1H3,(H4,14,15,16)/p+1
InChIKey VJQJOOXXNVPBGV-UHFFFAOYSA-O
Mol Weight 282.32 g/mol
Molecular Formula C13H20N3O4
Exact Mass 282.145381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xxEHw3zwMg
Name 3-Methoxy-4-hydroxy-benzoic acid, guanidino-butyl ester cation
Comments hydrochloride
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H20N3O4
InChI InChI=1S/C13H19N3O4/c1-19-11-8-9(4-5-10(11)17)12(18)20-7-3-2-6-16-13(14)15/h4-5,8,17H,2-3,6-7H2,1H3,(H4,14,15,16)/p+1
InChIKey VJQJOOXXNVPBGV-UHFFFAOYSA-O
Instrument Name Varian CFT-20
Literature Reference G.E. Langford, P. Yates, H.W.Yeung, Org. Magn. Resonance 14, 474 (1980).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6