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1,3-Benzenediol, o-pentafluorobenzoyl-o'-(3-trifluoromethylbenzoyl)-

View entire compound with spectra: 1 NMR

1,3-Benzenediol, o-pentafluorobenzoyl-o'-(3-trifluoromethylbenzoyl)-
SpectraBase Compound ID 7fcQt95YBC4
InChI InChI=1S/C21H8F8O4/c22-14-13(15(23)17(25)18(26)16(14)24)20(31)33-12-6-2-5-11(8-12)32-19(30)9-3-1-4-10(7-9)21(27,28)29/h1-8H
InChIKey PVADKINXMFTOKU-UHFFFAOYSA-N
Mol Weight 476.28 g/mol
Molecular Formula C21H8F8O4
Exact Mass 476.029484 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LAD09Rb92g6
Name 1,3-Benzenediol, o-pentafluorobenzoyl-o'-(3-trifluoromethylbenzoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.029484038 u
Formula C21H8F8O4
InChI InChI=1S/C21H8F8O4/c22-14-13(15(23)17(25)18(26)16(14)24)20(31)33-12-6-2-5-11(8-12)32-19(30)9-3-1-4-10(7-9)21(27,28)29/h1-8H
InChIKey PVADKINXMFTOKU-UHFFFAOYSA-N
Molecular Weight 476.278 g/mol
SMILES C1=C(C=CC=C1OC(=O)C1=C(C(=C(C(=C1F)F)F)F)F)OC(=O)C1=CC(=CC=C1)C(F)(F)F