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Diethylmalonic acid, 2-fluorophenyl tridecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-fluorophenyl tridecyl ester
SpectraBase Compound ID SKdIcFLhcZ
InChI InChI=1S/C26H41FO4/c1-4-7-8-9-10-11-12-13-14-15-18-21-30-24(28)26(5-2,6-3)25(29)31-23-20-17-16-19-22(23)27/h16-17,19-20H,4-15,18,21H2,1-3H3
InChIKey HOPHDCGQDBXZTF-UHFFFAOYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C26H41FO4
Exact Mass 436.298888 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4bvPAMY2AB3
Name Diethylmalonic acid, 2-fluorophenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.298887959 u
Formula C26H41FO4
InChI InChI=1S/C26H41FO4/c1-4-7-8-9-10-11-12-13-14-15-18-21-30-24(28)26(5-2,6-3)25(29)31-23-20-17-16-19-22(23)27/h16-17,19-20H,4-15,18,21H2,1-3H3
InChIKey HOPHDCGQDBXZTF-UHFFFAOYSA-N
Molecular Weight 436.608 g/mol
SMILES CCC(C(OCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)F)=O)CC