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

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Diethylmalonic acid, butyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID BTn2RmLcfHf
InChI InChI=1S/C16H22F8O4/c1-4-7-8-27-11(25)13(5-2,6-3)12(26)28-9-14(19,20)16(23,24)15(21,22)10(17)18/h10H,4-9H2,1-3H3
InChIKey ZGMPOSGSTMVCIL-UHFFFAOYSA-N
Mol Weight 430.34 g/mol
Molecular Formula C16H22F8O4
Exact Mass 430.139034 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AqqH93B90qo
Name Diethylmalonic acid, butyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.139034488 u
Formula C16H22F8O4
InChI InChI=1S/C16H22F8O4/c1-4-7-8-27-11(25)13(5-2,6-3)12(26)28-9-14(19,20)16(23,24)15(21,22)10(17)18/h10H,4-9H2,1-3H3
InChIKey ZGMPOSGSTMVCIL-UHFFFAOYSA-N
Molecular Weight 430.335 g/mol
SMILES C(C(C(OCCCC)=O)(CC)CC)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O