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Pimelic acid, 2-fluorophenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 2-fluorophenyl pentadecyl ester
SpectraBase Compound ID 5PKcQ43lAwj
InChI InChI=1S/C28H45FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-24-32-27(30)22-15-14-16-23-28(31)33-26-21-18-17-20-25(26)29/h17-18,20-21H,2-16,19,22-24H2,1H3
InChIKey BYEWMMFMYTZNIM-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 5Eq8GoRF00Y
Name Pimelic acid, 2-fluorophenyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 464.330188088 u
Formula C28H45FO4
InChI InChI=1S/C28H45FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-24-32-27(30)22-15-14-16-23-28(31)33-26-21-18-17-20-25(26)29/h17-18,20-21H,2-16,19,22-24H2,1H3
InChIKey BYEWMMFMYTZNIM-UHFFFAOYSA-N
Molecular Weight 464.662 g/mol
SMILES C(CCCC(OCCCCCCCCCCCCCCC)=O)CC(OC=1C=CC=CC1F)=O