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4-(Heptafluorobutyryloxy)benzoic heptafluorobutyric anhydride

View entire compound with spectra: 1 NMR, and 1 FTIR

4-(Heptafluorobutyryloxy)benzoic heptafluorobutyric anhydride
SpectraBase Compound ID 8OTo4sZ4dXq
InChI InChI=1S/C15H4F14O5/c16-10(17,12(20,21)14(24,25)26)8(31)33-6-3-1-5(2-4-6)7(30)34-9(32)11(18,19)13(22,23)15(27,28)29/h1-4H
InChIKey VEGVJHKUSCVTPG-UHFFFAOYSA-N
Mol Weight 530.17 g/mol
Molecular Formula C15H4F14O5
Exact Mass 529.983518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6kT9o6G4mev
Name 4-(Heptafluorobutyryloxy)benzoic heptafluorobutyric anhydride
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 529.983517506 u
Formula C15H4F14O5
InChI InChI=1S/C15H4F14O5/c16-10(17,12(20,21)14(24,25)26)8(31)33-6-3-1-5(2-4-6)7(30)34-9(32)11(18,19)13(22,23)15(27,28)29/h1-4H
InChIKey VEGVJHKUSCVTPG-UHFFFAOYSA-N
Molecular Weight 530.170 g/mol
SMILES C1=C(C=CC(=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=O