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Glutaric acid, 3,5-difluorophenyl tetradecyl ester
SpectraBase Compound ID 4xlCDQjktTT
InChI InChI=1S/C25H38F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-30-24(28)15-14-16-25(29)31-23-19-21(26)18-22(27)20-23/h18-20H,2-17H2,1H3
InChIKey FIFIVUJQMJAHAC-UHFFFAOYSA-N
Mol Weight 440.6 g/mol
Molecular Formula C25H38F2O4
Exact Mass 440.273816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AzTOzorc4XR
Name Glutaric acid, 3,5-difluorophenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 440.273816026 u
Formula C25H38F2O4
InChI InChI=1S/C25H38F2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-30-24(28)15-14-16-25(29)31-23-19-21(26)18-22(27)20-23/h18-20H,2-17H2,1H3
InChIKey FIFIVUJQMJAHAC-UHFFFAOYSA-N
Molecular Weight 440.572 g/mol
SMILES CCCCCCCCCCCCCCOC(CCCC(OC1=CC(=CC(=C1)F)F)=O)=O