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4,4'-(1,3-Dimethylbutylidene)bisphenol, bis(trifluoroacetate)

View entire compound with spectra: 1 NMR

4,4'-(1,3-Dimethylbutylidene)bisphenol, bis(trifluoroacetate)
SpectraBase Compound ID 5fxVY7c7YTi
InChI InChI=1S/C22H20F6O4/c1-13(2)12-20(3,14-4-8-16(9-5-14)31-18(29)21(23,24)25)15-6-10-17(11-7-15)32-19(30)22(26,27)28/h4-11,13H,12H2,1-3H3
InChIKey VODAZKVPQMVCRR-UHFFFAOYSA-N
Mol Weight 462.39 g/mol
Molecular Formula C22H20F6O4
Exact Mass 462.126578 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 935gGxt1Nk9
Name 4,4'-(1,3-Dimethylbutylidene)bisphenol, bis(trifluoroacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.126578098 u
Formula C22H20F6O4
InChI InChI=1S/C22H20F6O4/c1-13(2)12-20(3,14-4-8-16(9-5-14)31-18(29)21(23,24)25)15-6-10-17(11-7-15)32-19(30)22(26,27)28/h4-11,13H,12H2,1-3H3
InChIKey VODAZKVPQMVCRR-UHFFFAOYSA-N
Molecular Weight 462.388 g/mol
SMILES C1(OC(C(F)(F)F)=O)=CC=C(C=C1)C(CC(C)C)(C)C1=CC=C(C=C1)OC(C(F)(F)F)=O