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

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-fluoro-2-methoxyphenyl tetradecyl ester
SpectraBase Compound ID KoToKy6DXMG
InChI InChI=1S/C28H45FO5/c1-5-8-9-10-11-12-13-14-15-16-17-18-21-33-26(30)28(6-2,7-3)27(31)34-24-20-19-23(29)22-25(24)32-4/h19-20,22H,5-18,21H2,1-4H3
InChIKey BQTPFRRIASFBOH-UHFFFAOYSA-N
Mol Weight 480.7 g/mol
Molecular Formula C28H45FO5
Exact Mass 480.325103 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6OIu7v2pbmB
Name Diethylmalonic acid, 4-fluoro-2-methoxyphenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 480.325102707 u
Formula C28H45FO5
InChI InChI=1S/C28H45FO5/c1-5-8-9-10-11-12-13-14-15-16-17-18-21-33-26(30)28(6-2,7-3)27(31)34-24-20-19-23(29)22-25(24)32-4/h19-20,22H,5-18,21H2,1-4H3
InChIKey BQTPFRRIASFBOH-UHFFFAOYSA-N
Molecular Weight 480.661 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCC)=O)(CC)CC)(OC1=CC=C(C=C1OC)F)=O