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meso-6,8-Dihexyl-7-oxo-tridecandioic acid

View entire compound with spectra: 2 NMR

meso-6,8-Dihexyl-7-oxo-tridecandioic acid
SpectraBase Compound ID 7od8bhBTJeV
InChI InChI=1S/C25H46O5/c1-3-5-7-9-15-21(17-11-13-19-23(26)27)25(30)22(16-10-8-6-4-2)18-12-14-20-24(28)29/h21-22H,3-20H2,1-2H3,(H,26,27)(H,28,29)
InChIKey FECUOVLQAVKRPS-UHFFFAOYSA-N
Mol Weight 426.6 g/mol
Molecular Formula C25H46O5
Exact Mass 426.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KWWqSkPZDcB
Name Rac-6,8-dihexyl-7-oxo-tridecandioic acid
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H46O5
InChI InChI=1S/C25H46O5/c1-3-5-7-9-15-21(17-11-13-19-23(26)27)25(30)22(16-10-8-6-4-2)18-12-14-20-24(28)29/h21-22H,3-20H2,1-2H3,(H,26,27)(H,28,29)
InChIKey FECUOVLQAVKRPS-UHFFFAOYSA-N
Instrument Name Varian XL-300
Literature Reference D.A. Jaeger, P.K. Chou, D. Durgadas, J. Am. Chem. Soc. 110, 5123 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3