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Diethylmalonic acid, 2-fluorophenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-fluorophenyl pentadecyl ester
SpectraBase Compound ID K9vPKnVDB
InChI InChI=1S/C28H45FO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-23-32-26(30)28(5-2,6-3)27(31)33-25-22-19-18-21-24(25)29/h18-19,21-22H,4-17,20,23H2,1-3H3
InChIKey KINTWSKJBCUSDJ-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 9zFwqpSR4yE
Name Diethylmalonic 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/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-23-32-26(30)28(5-2,6-3)27(31)33-25-22-19-18-21-24(25)29/h18-19,21-22H,4-17,20,23H2,1-3H3
InChIKey KINTWSKJBCUSDJ-UHFFFAOYSA-N
Molecular Weight 464.662 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)F)=O)CC