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3,4'-Isopropylidenediphenol, bis(pentafluoropropionate)

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

3,4'-Isopropylidenediphenol, bis(pentafluoropropionate)
SpectraBase Compound ID GEB5qEOVzgg
InChI InChI=1S/C21H14F10O4/c1-17(2,11-6-8-13(9-7-11)34-15(32)18(22,23)20(26,27)28)12-4-3-5-14(10-12)35-16(33)19(24,25)21(29,30)31/h3-10H,1-2H3
InChIKey QHSWGPRUYSTJAI-UHFFFAOYSA-N
Mol Weight 520.32 g/mol
Molecular Formula C21H14F10O4
Exact Mass 520.073241 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7GgN2naRx5M
Name 3,4'-Isopropylidenediphenol, bis(pentafluoropropionate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 520.073240557 u
Formula C21H14F10O4
InChI InChI=1S/C21H14F10O4/c1-17(2,11-6-8-13(9-7-11)34-15(32)18(22,23)20(26,27)28)12-4-3-5-14(10-12)35-16(33)19(24,25)21(29,30)31/h3-10H,1-2H3
InChIKey QHSWGPRUYSTJAI-UHFFFAOYSA-N
Molecular Weight 520.323 g/mol
SMILES C1(OC(C(C(F)(F)F)(F)F)=O)=CC(=CC=C1)C(C)(C)C1=CC=C(C=C1)OC(C(C(F)(F)F)(F)F)=O