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3,4,5-Trimethoxy-benzoic acid, 5-guanidino-pentyl ester cation

View entire compound with spectra: 1 NMR

3,4,5-Trimethoxy-benzoic acid, 5-guanidino-pentyl ester cation
SpectraBase Compound ID AbaQhxxktNW
InChI InChI=1S/C16H25N3O5/c1-21-12-9-11(10-13(22-2)14(12)23-3)15(20)24-8-6-4-5-7-19-16(17)18/h9-10H,4-8H2,1-3H3,(H4,17,18,19)/p+1
InChIKey JYINLGHQJFVGAF-UHFFFAOYSA-O
Mol Weight 340.4 g/mol
Molecular Formula C16H26N3O5
Exact Mass 340.187246 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6A8sDVYqI4R
Name 3,4,5-Trimethoxy-benzoic acid, 5-guanidino-pentyl ester cation
Comments hydrochloride
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C16H26N3O5
InChI InChI=1S/C16H25N3O5/c1-21-12-9-11(10-13(22-2)14(12)23-3)15(20)24-8-6-4-5-7-19-16(17)18/h9-10H,4-8H2,1-3H3,(H4,17,18,19)/p+1
InChIKey JYINLGHQJFVGAF-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