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Benzoic acid, 3-guanidino-propyl ester cation

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Benzoic acid, 3-guanidino-propyl ester cation
SpectraBase Compound ID IbFuGPHzwGd
InChI InChI=1S/C11H15N3O2/c12-11(13)14-7-4-8-16-10(15)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H4,12,13,14)/p+1
InChIKey WEHXIAHXTQLMEU-UHFFFAOYSA-O
Mol Weight 222.27 g/mol
Molecular Formula C11H16N3O2
Exact Mass 222.124252 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LlIDnPgHuv6
Name Benzoic acid, 3-guanidino-propyl ester cation
Comments hydrochloride
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H16N3O2
InChI InChI=1S/C11H15N3O2/c12-11(13)14-7-4-8-16-10(15)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H4,12,13,14)/p+1
InChIKey WEHXIAHXTQLMEU-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