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3,4-di(Pentafluoropropionyloxy)phenylacetic acid

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3,4-di(Pentafluoropropionyloxy)phenylacetic acid
SpectraBase Compound ID JyrG5KQR4bD
InChI InChI=1S/C14H6F10O6/c15-11(16,13(19,20)21)9(27)29-6-2-1-5(4-8(25)26)3-7(6)30-10(28)12(17,18)14(22,23)24/h1-3H,4H2,(H,25,26)
InChIKey SHFBINAYSWAGMW-UHFFFAOYSA-N
Mol Weight 460.18 g/mol
Molecular Formula C14H6F10O6
Exact Mass 460.00047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HOPmQsj8BA4
Name 3,4-di(Pentafluoropropionyloxy)phenylacetic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.000469537 u
Formula C14H6F10O6
InChI InChI=1S/C14H6F10O6/c15-11(16,13(19,20)21)9(27)29-6-2-1-5(4-8(25)26)3-7(6)30-10(28)12(17,18)14(22,23)24/h1-3H,4H2,(H,25,26)
InChIKey SHFBINAYSWAGMW-UHFFFAOYSA-N
Molecular Weight 460.180 g/mol
SMILES C1=C(C=C(C(=C1)OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O)CC(=O)O