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Diethylmalonic acid, 4-fluoro-2-methoxyphenyl heptyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-fluoro-2-methoxyphenyl heptyl ester
SpectraBase Compound ID ENpOoabrhAE
InChI InChI=1S/C21H31FO5/c1-5-8-9-10-11-14-26-19(23)21(6-2,7-3)20(24)27-17-13-12-16(22)15-18(17)25-4/h12-13,15H,5-11,14H2,1-4H3
InChIKey NOZNEOOMOQEIBJ-UHFFFAOYSA-N
Mol Weight 382.47 g/mol
Molecular Formula C21H31FO5
Exact Mass 382.215552 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2eQHlch5aSy
Name Diethylmalonic acid, 4-fluoro-2-methoxyphenyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 382.215552256 u
Formula C21H31FO5
InChI InChI=1S/C21H31FO5/c1-5-8-9-10-11-14-26-19(23)21(6-2,7-3)20(24)27-17-13-12-16(22)15-18(17)25-4/h12-13,15H,5-11,14H2,1-4H3
InChIKey NOZNEOOMOQEIBJ-UHFFFAOYSA-N
Molecular Weight 382.472 g/mol
SMILES C(C(C(OCCCCCCC)=O)(CC)CC)(OC1=CC=C(C=C1OC)F)=O