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Diethylmalonic acid, 2-fluorobenzyl tetradecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-fluorobenzyl tetradecyl ester
SpectraBase Compound ID 84167l5LbyL
InChI InChI=1S/C28H45FO4/c1-4-7-8-9-10-11-12-13-14-15-16-19-22-32-26(30)28(5-2,6-3)27(31)33-23-24-20-17-18-21-25(24)29/h17-18,20-21H,4-16,19,22-23H2,1-3H3
InChIKey CQOXRZLEXCRDQH-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 ASQ3o7BIwkf
Name Diethylmalonic acid, 2-fluorobenzyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 464.330188088 u
Formula C28H45FO4
InChI InChI=1S/C28H45FO4/c1-4-7-8-9-10-11-12-13-14-15-16-19-22-32-26(30)28(5-2,6-3)27(31)33-23-24-20-17-18-21-25(24)29/h17-18,20-21H,4-16,19,22-23H2,1-3H3
InChIKey CQOXRZLEXCRDQH-UHFFFAOYSA-N
Molecular Weight 464.662 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCC)=O)(C(OCC1=C(C=CC=C1)F)=O)CC