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Diethylmalonic acid, pentyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, pentyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID 1eNNzgtde35
InChI InChI=1S/C17H24F8O4/c1-4-7-8-9-28-12(26)14(5-2,6-3)13(27)29-10-15(20,21)17(24,25)16(22,23)11(18)19/h11H,4-10H2,1-3H3
InChIKey HCFZNWQEADMTNK-UHFFFAOYSA-N
Mol Weight 444.36 g/mol
Molecular Formula C17H24F8O4
Exact Mass 444.154685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F8a1Xg6nkAs
Name Diethylmalonic acid, pentyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 444.154684553 u
Formula C17H24F8O4
InChI InChI=1S/C17H24F8O4/c1-4-7-8-9-28-12(26)14(5-2,6-3)13(27)29-10-15(20,21)17(24,25)16(22,23)11(18)19/h11H,4-10H2,1-3H3
InChIKey HCFZNWQEADMTNK-UHFFFAOYSA-N
Molecular Weight 444.362 g/mol
SMILES C(C(C(OCCCCC)=O)(CC)CC)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O