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Diethylmalonic acid, dodecyl 2,2,3,3,4,4,4-heptafluorobutyl ester

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Diethylmalonic acid, dodecyl 2,2,3,3,4,4,4-heptafluorobutyl ester
SpectraBase Compound ID IqgLne8niSr
InChI InChI=1S/C23H37F7O4/c1-4-7-8-9-10-11-12-13-14-15-16-33-18(31)20(5-2,6-3)19(32)34-17-21(24,25)22(26,27)23(28,29)30/h4-17H2,1-3H3
InChIKey KETIWCSONQLCTI-UHFFFAOYSA-N
Mol Weight 510.5 g/mol
Molecular Formula C23H37F7O4
Exact Mass 510.258007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FVm7hjXhkeI
Name Diethylmalonic acid, dodecyl 2,2,3,3,4,4,4-heptafluorobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 510.258006808 u
Formula C23H37F7O4
InChI InChI=1S/C23H37F7O4/c1-4-7-8-9-10-11-12-13-14-15-16-33-18(31)20(5-2,6-3)19(32)34-17-21(24,25)22(26,27)23(28,29)30/h4-17H2,1-3H3
InChIKey KETIWCSONQLCTI-UHFFFAOYSA-N
Molecular Weight 510.534 g/mol
SMILES CCC(C(OCCCCCCCCCCCC)=O)(C(OCC(C(C(F)(F)F)(F)F)(F)F)=O)CC