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4-decoxy-3-fluoro-benzoic acid (4-caproylphenyl) ester
SpectraBase Compound ID LulIA3FJQHx
InChI InChI=1S/C29H39FO4/c1-3-5-7-8-9-10-11-13-21-33-28-20-17-24(22-26(28)30)29(32)34-25-18-15-23(16-19-25)27(31)14-12-6-4-2/h15-20,22H,3-14,21H2,1-2H3
InChIKey ABQRBHXJWSYRIQ-UHFFFAOYSA-N
Mol Weight 470.6 g/mol
Molecular Formula C29H39FO4
Exact Mass 470.283238 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HrMeEvvt4O7
Name 4-decoxy-3-fluoro-benzoic acid (4-caproylphenyl) ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H39FO4
InChI InChI=1S/C29H39FO4/c1-3-5-7-8-9-10-11-13-21-33-28-20-17-24(22-26(28)30)29(32)34-25-18-15-23(16-19-25)27(31)14-12-6-4-2/h15-20,22H,3-14,21H2,1-2H3
InChIKey ABQRBHXJWSYRIQ-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 470.625 g/mol
Source File Reference MHKO20237