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

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Diethylmalonic acid, octadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
SpectraBase Compound ID E1MIfENdKnf
InChI InChI=1S/C30H50F8O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-41-25(39)27(5-2,6-3)26(40)42-23-28(33,34)30(37,38)29(35,36)24(31)32/h24H,4-23H2,1-3H3
InChIKey MKRGPRYTUDXMAW-UHFFFAOYSA-N
Mol Weight 626.7 g/mol
Molecular Formula C30H50F8O4
Exact Mass 626.358135 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JUZoeMo2hGf
Name Diethylmalonic acid, octadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 626.358135390 u
Formula C30H50F8O4
InChI InChI=1S/C30H50F8O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-41-25(39)27(5-2,6-3)26(40)42-23-28(33,34)30(37,38)29(35,36)24(31)32/h24H,4-23H2,1-3H3
InChIKey MKRGPRYTUDXMAW-UHFFFAOYSA-N
Molecular Weight 626.713 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCCCCCC)=O)(CC)CC)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)=O