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3,4-di(Heptafluorobytyryloxy)phenylacetic acid, heptafluorobutyric acid anhydride

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3,4-di(Heptafluorobytyryloxy)phenylacetic acid, heptafluorobutyric acid anhydride
SpectraBase Compound ID loqA4VIjyP
InChI InChI=1S/C20H5F21O7/c21-12(22,15(27,28)18(33,34)35)9(43)46-6-2-1-5(3-7(6)47-10(44)13(23,24)16(29,30)19(36,37)38)4-8(42)48-11(45)14(25,26)17(31,32)20(39,40)41/h1-3H,4H2
InChIKey ZHVARCTUZUASSV-UHFFFAOYSA-N
Mol Weight 756.22 g/mol
Molecular Formula C20H5F21O7
Exact Mass 755.969994 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9vQpRKXqblT
Name 3,4-di(Heptafluorobytyryloxy)phenylacetic acid, heptafluorobutyric acid anhydride
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 755.969993917 u
Formula C20H5F21O7
InChI InChI=1S/C20H5F21O7/c21-12(22,15(27,28)18(33,34)35)9(43)46-6-2-1-5(3-7(6)47-10(44)13(23,24)16(29,30)19(36,37)38)4-8(42)48-11(45)14(25,26)17(31,32)20(39,40)41/h1-3H,4H2
InChIKey ZHVARCTUZUASSV-UHFFFAOYSA-N
Molecular Weight 756.219 g/mol
SMILES C1=C(C=C(C(=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)CC(=O)OC(=O)C(C(C(F)(F)F)(F)F)(F)F