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Diethylmalonic acid, 2-fluorophenyl octadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Diethylmalonic acid, 2-fluorophenyl octadecyl ester
SpectraBase Compound ID AcppAA1RRpB
InChI InChI=1S/C31H51FO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-35-29(33)31(5-2,6-3)30(34)36-28-25-22-21-24-27(28)32/h21-22,24-25H,4-20,23,26H2,1-3H3
InChIKey BMGPVJAVJDUTDB-UHFFFAOYSA-N
Mol Weight 506.7 g/mol
Molecular Formula C31H51FO4
Exact Mass 506.377138 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D6Ep7WO56w5
Name Diethylmalonic acid, 2-fluorophenyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 506.377138281 u
Formula C31H51FO4
InChI InChI=1S/C31H51FO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-35-29(33)31(5-2,6-3)30(34)36-28-25-22-21-24-27(28)32/h21-22,24-25H,4-20,23,26H2,1-3H3
InChIKey BMGPVJAVJDUTDB-UHFFFAOYSA-N
Molecular Weight 506.743 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)F)=O)CC