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

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-fluoro-2-methoxyphenyl octyl ester
SpectraBase Compound ID FuUxCO9MuCp
InChI InChI=1S/C22H33FO5/c1-5-8-9-10-11-12-15-27-20(24)22(6-2,7-3)21(25)28-18-14-13-17(23)16-19(18)26-4/h13-14,16H,5-12,15H2,1-4H3
InChIKey BFARZKQPTJCKSD-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C22H33FO5
Exact Mass 396.231202 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfFeusNzRrt
Name Diethylmalonic acid, 4-fluoro-2-methoxyphenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.231202321 u
Formula C22H33FO5
InChI InChI=1S/C22H33FO5/c1-5-8-9-10-11-12-15-27-20(24)22(6-2,7-3)21(25)28-18-14-13-17(23)16-19(18)26-4/h13-14,16H,5-12,15H2,1-4H3
InChIKey BFARZKQPTJCKSD-UHFFFAOYSA-N
Molecular Weight 396.499 g/mol
SMILES C(C(C(OCCCCCCCC)=O)(CC)CC)(OC1=CC=C(C=C1OC)F)=O