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Diethylmalonic acid, dodecyl pentafluorophenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, dodecyl pentafluorophenyl ester
SpectraBase Compound ID Azr8BQeN4aD
InChI InChI=1S/C25H35F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-33-23(31)25(5-2,6-3)24(32)34-22-20(29)18(27)17(26)19(28)21(22)30/h4-16H2,1-3H3
InChIKey XVVFOWGRKBIJJZ-UHFFFAOYSA-N
Mol Weight 494.5 g/mol
Molecular Formula C25H35F5O4
Exact Mass 494.24555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID VEKgnzDfoV
Name Diethylmalonic acid, dodecyl pentafluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.245550418 u
Formula C25H35F5O4
InChI InChI=1S/C25H35F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-33-23(31)25(5-2,6-3)24(32)34-22-20(29)18(27)17(26)19(28)21(22)30/h4-16H2,1-3H3
InChIKey XVVFOWGRKBIJJZ-UHFFFAOYSA-N
Molecular Weight 494.543 g/mol
SMILES CCC(C(OCCCCCCCCCCCC)=O)(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC