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Dimethylmalonic acid, heptadecyl 2,2,3,3-tetrafluoropropyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, heptadecyl 2,2,3,3-tetrafluoropropyl ester
SpectraBase Compound ID Cmq9hsVyZrY
InChI InChI=1S/C25H44F4O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32-22(30)24(2,3)23(31)33-20-25(28,29)21(26)27/h21H,4-20H2,1-3H3
InChIKey QOOSCMSYKYZANB-UHFFFAOYSA-N
Mol Weight 484.6 g/mol
Molecular Formula C25H44F4O4
Exact Mass 484.317573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2pAhlXcVxlT
Name Dimethylmalonic acid, heptadecyl 2,2,3,3-tetrafluoropropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 484.317572545 u
Formula C25H44F4O4
InChI InChI=1S/C25H44F4O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32-22(30)24(2,3)23(31)33-20-25(28,29)21(26)27/h21H,4-20H2,1-3H3
InChIKey QOOSCMSYKYZANB-UHFFFAOYSA-N
Molecular Weight 484.617 g/mol
SMILES CCCCCCCCCCCCCCCCCOC(C(C(=O)OCC(C(F)F)(F)F)(C)C)=O