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Dimethylmalonic acid, nonyl pentafluorobenzyl ester

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Dimethylmalonic acid, nonyl pentafluorobenzyl ester
SpectraBase Compound ID 9SZcgkRH5pD
InChI InChI=1S/C21H27F5O4/c1-4-5-6-7-8-9-10-11-29-19(27)21(2,3)20(28)30-12-13-14(22)16(24)18(26)17(25)15(13)23/h4-12H2,1-3H3
InChIKey VARRYBFHIMBLEW-UHFFFAOYSA-N
Mol Weight 438.44 g/mol
Molecular Formula C21H27F5O4
Exact Mass 438.18295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HoABAWMrp04
Name Dimethylmalonic acid, nonyl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.182950160 u
Formula C21H27F5O4
InChI InChI=1S/C21H27F5O4/c1-4-5-6-7-8-9-10-11-29-19(27)21(2,3)20(28)30-12-13-14(22)16(24)18(26)17(25)15(13)23/h4-12H2,1-3H3
InChIKey VARRYBFHIMBLEW-UHFFFAOYSA-N
Molecular Weight 438.435 g/mol
SMILES CCCCCCCCCOC(C(C(OCC1=C(C(=C(F)C(=C1F)F)F)F)=O)(C)C)=O