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Dimethylmalonic acid, dipentafluorophenyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, dipentafluorophenyl ester
SpectraBase Compound ID I7CINRfycQW
InChI InChI=1S/C17H6F10O4/c1-17(2,15(28)30-13-9(24)5(20)3(18)6(21)10(13)25)16(29)31-14-11(26)7(22)4(19)8(23)12(14)27/h1-2H3
InChIKey WWFPQFWWTZIEIC-UHFFFAOYSA-N
Mol Weight 464.22 g/mol
Molecular Formula C17H6F10O4
Exact Mass 464.01064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8YV5mEHcvJn
Name Dimethylmalonic acid, dipentafluorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.010640299 u
Formula C17H6F10O4
InChI InChI=1S/C17H6F10O4/c1-17(2,15(28)30-13-9(24)5(20)3(18)6(21)10(13)25)16(29)31-14-11(26)7(22)4(19)8(23)12(14)27/h1-2H3
InChIKey WWFPQFWWTZIEIC-UHFFFAOYSA-N
Molecular Weight 464.215 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)OC(=O)C(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)(C)C)F)F)F