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

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Diethylmalonic acid, eicosyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID KIsB2jbAnIo
InChI InChI=1S/C32H54F8O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-43-27(41)29(5-2,6-3)28(42)44-25-30(35,36)32(39,40)31(37,38)26(33)34/h26H,4-25H2,1-3H3
InChIKey WZMRWNMWDNPDTQ-UHFFFAOYSA-N
Mol Weight 654.8 g/mol
Molecular Formula C32H54F8O4
Exact Mass 654.389436 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J9LaLXDTQIv
Name Diethylmalonic acid, eicosyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 654.389435519 u
Formula C32H54F8O4
InChI InChI=1S/C32H54F8O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-43-27(41)29(5-2,6-3)28(42)44-25-30(35,36)32(39,40)31(37,38)26(33)34/h26H,4-25H2,1-3H3
InChIKey WZMRWNMWDNPDTQ-UHFFFAOYSA-N
Molecular Weight 654.767 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCCCCCCCC)=O)(CC)CC)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O