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4-(1-Oxo-2-nonynyl)-benzoic acid, methyl ester
SpectraBase Compound ID BfQWx1fCdj8
InChI InChI=1S/C17H20O3/c1-3-4-5-6-7-8-9-16(18)14-10-12-15(13-11-14)17(19)20-2/h10-13H,3-7H2,1-2H3
InChIKey OWYLKTAIEBCQNL-UHFFFAOYSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 24YCEdzM6fk
Name 4-(1-Oxo-2-nonynyl)-benzoic acid, methyl ester
CAS Registry Number 117438-64-9
Comments SHIFTCORRECTION: +0.3 PPM (A.H.)
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Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-3-4-5-6-7-8-9-16(18)14-10-12-15(13-11-14)17(19)20-2/h10-13H,3-7H2,1-2H3
InChIKey OWYLKTAIEBCQNL-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