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

View entire compound with spectra: 1 NMR

3,4,5-Trimethoxy-benzoic acid, 4-guanidino-butyl ester cation
SpectraBase Compound ID 55bRLQ9R4dK
InChI InChI=1S/C15H23N3O5/c1-20-11-8-10(9-12(21-2)13(11)22-3)14(19)23-7-5-4-6-18-15(16)17/h8-9H,4-7H2,1-3H3,(H4,16,17,18)/p+1
InChIKey PGYGIKXFLLOCBD-UHFFFAOYSA-O
Mol Weight 326.37 g/mol
Molecular Formula C15H24N3O5
Exact Mass 326.171596 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Chf08WtvE3e
Name 3,4,5-Trimethoxy-benzoic acid, 4-guanidino-butyl ester cation
Comments NITRATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H24N3O5
InChI InChI=1S/C15H23N3O5/c1-20-11-8-10(9-12(21-2)13(11)22-3)14(19)23-7-5-4-6-18-15(16)17/h8-9H,4-7H2,1-3H3,(H4,16,17,18)/p+1
InChIKey PGYGIKXFLLOCBD-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