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1,2-Benzenediol, o-(4-fluorobenzoyl)-o'-pentadecafluorooctanoyl-

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

1,2-Benzenediol, o-(4-fluorobenzoyl)-o'-pentadecafluorooctanoyl-
SpectraBase Compound ID AvKzWBV32ly
InChI InChI=1S/C21H8F16O4/c22-10-7-5-9(6-8-10)13(38)40-11-3-1-2-4-12(11)41-14(39)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)37/h1-8H
InChIKey KMWHTUCVJJQETO-UHFFFAOYSA-N
Mol Weight 628.27 g/mol
Molecular Formula C21H8F16O4
Exact Mass 628.016709 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4MApTY4GTK8
Name 1,2-Benzenediol, o-(4-fluorobenzoyl)-o'-pentadecafluorooctanoyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 628.016709342 u
Formula C21H8F16O4
InChI InChI=1S/C21H8F16O4/c22-10-7-5-9(6-8-10)13(38)40-11-3-1-2-4-12(11)41-14(39)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)37/h1-8H
InChIKey KMWHTUCVJJQETO-UHFFFAOYSA-N
Molecular Weight 628.265 g/mol
SMILES C1(=CC=C(C=C1)C(OC1=CC=CC=C1OC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O)F