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Benzoic acid, 4-guanidino-butyl ester cation

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Benzoic acid, 4-guanidino-butyl ester cation
SpectraBase Compound ID 4VYXhPul4UZ
InChI InChI=1S/C12H17N3O2/c13-12(14)15-8-4-5-9-17-11(16)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H4,13,14,15)/p+1
InChIKey DKJVMOUUGUGVQZ-UHFFFAOYSA-O
Mol Weight 236.3 g/mol
Molecular Formula C12H18N3O2
Exact Mass 236.139902 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4D9ZHPosINM
Name Benzoic acid, 4-guanidino-butyl ester cation
Comments NITRATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H18N3O2
InChI InChI=1S/C12H17N3O2/c13-12(14)15-8-4-5-9-17-11(16)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H4,13,14,15)/p+1
InChIKey DKJVMOUUGUGVQZ-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