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4-(4-Pyridinecarboxamido)-butanoic acid, benzyl ester
SpectraBase Compound ID Jp8jdwDhieH
InChI InChI=1S/C17H18N2O3/c20-16(22-13-14-5-2-1-3-6-14)7-4-10-19-17(21)15-8-11-18-12-9-15/h1-3,5-6,8-9,11-12H,4,7,10,13H2,(H,19,21)
InChIKey WCBDRWSBOJZOEN-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C17H18N2O3
Exact Mass 298.131742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JjjLrScWTcE
Name 4-(4-Pyridinecarboxamido)-butanoic acid, benzyl ester
CAS Registry Number 86272-17-5
Comments SHIFT OF C6 CHANGED FROM 186.25 PPM (PRINTING ERROR?)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H18N2O3
InChI InChI=1S/C17H18N2O3/c20-16(22-13-14-5-2-1-3-6-14)7-4-10-19-17(21)15-8-11-18-12-9-15/h1-3,5-6,8-9,11-12H,4,7,10,13H2,(H,19,21)
InChIKey WCBDRWSBOJZOEN-UHFFFAOYSA-N
Literature Reference A.N. Nau, L.L. Miller, B. Zinger, J. Am. Chem. Soc. 105, 5278 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6