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4-(1(S)-Hydroxy-nonyl)-benzoic acid, (4-decyloxy-phenyl)-ester
SpectraBase Compound ID 76mwAf4tNnX
InChI InChI=1S/C32H48O4/c1-3-5-7-9-11-12-14-16-26-35-29-22-24-30(25-23-29)36-32(34)28-20-18-27(19-21-28)31(33)17-15-13-10-8-6-4-2/h18-25,31,33H,3-17,26H2,1-2H3
InChIKey WWZHFEATTMHQRO-UHFFFAOYSA-N
Mol Weight 496.7 g/mol
Molecular Formula C32H48O4
Exact Mass 496.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FFbzJMpEF88
Name 4-(1(S)-Hydroxy-nonyl)-benzoic acid, (4-decyloxy-phenyl)-ester
CAS Registry Number 113248-18-3
Comments SHIFTCORRECTION: +0.1 PPM (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C32H48O4
InChI InChI=1S/C32H48O4/c1-3-5-7-9-11-12-14-16-26-35-29-22-24-30(25-23-29)36-32(34)28-20-18-27(19-21-28)31(33)17-15-13-10-8-6-4-2/h18-25,31,33H,3-17,26H2,1-2H3
InChIKey WWZHFEATTMHQRO-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference D.M. Walba, H.A. Razavi, N.A.Clark, J. Am. Chem. Soc. 110, 8686 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3