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Glutaric acid, 3-fluorophenyl heptadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 3-fluorophenyl heptadecyl ester
SpectraBase Compound ID IFWGJlGAmua
InChI InChI=1S/C28H45FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-32-27(30)21-18-22-28(31)33-26-20-17-19-25(29)24-26/h17,19-20,24H,2-16,18,21-23H2,1H3
InChIKey JMYNNOWGFQNSNR-UHFFFAOYSA-N
Mol Weight 464.7 g/mol
Molecular Formula C28H45FO4
Exact Mass 464.330188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J6jtWD98BOX
Name Glutaric acid, 3-fluorophenyl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 464.330188088 u
Formula C28H45FO4
InChI InChI=1S/C28H45FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-32-27(30)21-18-22-28(31)33-26-20-17-19-25(29)24-26/h17,19-20,24H,2-16,18,21-23H2,1H3
InChIKey JMYNNOWGFQNSNR-UHFFFAOYSA-N
Molecular Weight 464.662 g/mol
SMILES CCCCCCCCCCCCCCCCCOC(CCCC(OC1=CC=CC(=C1)F)=O)=O