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1,3-Benzenediol, o,o'-dipentafluorobenzoyl-

View entire compound with spectra: 1 NMR

1,3-Benzenediol, o,o'-dipentafluorobenzoyl-
SpectraBase Compound ID BJ68Efc14hL
InChI InChI=1S/C20H4F10O4/c21-9-7(10(22)14(26)17(29)13(9)25)19(31)33-5-2-1-3-6(4-5)34-20(32)8-11(23)15(27)18(30)16(28)12(8)24/h1-4H
InChIKey MKKVDJFHPOFXPC-UHFFFAOYSA-N
Mol Weight 498.23 g/mol
Molecular Formula C20H4F10O4
Exact Mass 497.99499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JRw5VLNkbM9
Name 1,3-Benzenediol, o,o'-dipentafluorobenzoyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 497.994990235 u
Formula C20H4F10O4
InChI InChI=1S/C20H4F10O4/c21-9-7(10(22)14(26)17(29)13(9)25)19(31)33-5-2-1-3-6(4-5)34-20(32)8-11(23)15(27)18(30)16(28)12(8)24/h1-4H
InChIKey MKKVDJFHPOFXPC-UHFFFAOYSA-N
Molecular Weight 498.232 g/mol
SMILES C1=C(C=CC=C1OC(=O)C1=C(C(=C(C(=C1F)F)F)F)F)OC(=O)C1=C(C(=C(C(=C1F)F)F)F)F