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4-(1-Hydroxy-2-nonynyl)-benzoic acid, methyl ester
SpectraBase Compound ID WbZ2rSIHkg
InChI InChI=1S/C17H22O3/c1-3-4-5-6-7-8-9-16(18)14-10-12-15(13-11-14)17(19)20-2/h10-13,16,18H,3-7H2,1-2H3
InChIKey RYRVUGSAQDAFOA-UHFFFAOYSA-N
Mol Weight 274.36 g/mol
Molecular Formula C17H22O3
Exact Mass 274.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1tq0EfPkPoK
Name 4-(1-Hydroxy-2-nonynyl)-benzoic acid, methyl ester
CAS Registry Number 117438-63-8
Comments SHIFTCORRECTION: +0.4 PPM (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H22O3
InChI InChI=1S/C17H22O3/c1-3-4-5-6-7-8-9-16(18)14-10-12-15(13-11-14)17(19)20-2/h10-13,16,18H,3-7H2,1-2H3
InChIKey RYRVUGSAQDAFOA-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