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3,4,5-Trihydroxy-benzoic acid, 4-guanidino-butyl ester cation
SpectraBase Compound ID 3t9XNoch2YB
InChI InChI=1S/C12H17N3O5/c13-12(14)15-3-1-2-4-20-11(19)7-5-8(16)10(18)9(17)6-7/h5-6,16-18H,1-4H2,(H4,13,14,15)/p+1
InChIKey RRCFJJHXUTWOLG-UHFFFAOYSA-O
Mol Weight 284.29 g/mol
Molecular Formula C12H18N3O5
Exact Mass 284.124646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ALPsAiCowoS
Name 3,4,5-Trihydroxy-benzoic acid, 4-guanidino-butyl ester cation
Comments hydrochloride
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Formula C12H18N3O5
InChI InChI=1S/C12H17N3O5/c13-12(14)15-3-1-2-4-20-11(19)7-5-8(16)10(18)9(17)6-7/h5-6,16-18H,1-4H2,(H4,13,14,15)/p+1
InChIKey RRCFJJHXUTWOLG-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