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Diethylmalonic acid, nonyl 2,2,3,3,3-pentafluoropropyl ester

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Diethylmalonic acid, nonyl 2,2,3,3,3-pentafluoropropyl ester
SpectraBase Compound ID 2zqqUwUQXPn
InChI InChI=1S/C19H31F5O4/c1-4-7-8-9-10-11-12-13-27-15(25)17(5-2,6-3)16(26)28-14-18(20,21)19(22,23)24/h4-14H2,1-3H3
InChIKey VGPGODMISANVFI-UHFFFAOYSA-N
Mol Weight 418.45 g/mol
Molecular Formula C19H31F5O4
Exact Mass 418.21425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DulleLxuJTT
Name Diethylmalonic acid, nonyl 2,2,3,3,3-pentafluoropropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.214250289 u
Formula C19H31F5O4
InChI InChI=1S/C19H31F5O4/c1-4-7-8-9-10-11-12-13-27-15(25)17(5-2,6-3)16(26)28-14-18(20,21)19(22,23)24/h4-14H2,1-3H3
InChIKey VGPGODMISANVFI-UHFFFAOYSA-N
Molecular Weight 418.445 g/mol
SMILES C(C(C(OCCCCCCCCC)=O)(CC)CC)(OCC(F)(F)C(F)(F)F)=O