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

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4,4'-(1,3-Dimethylbutylidene)bisphenol, bis(heptafluorobutyrate)
SpectraBase Compound ID 2UAAdDBxNM8
InChI InChI=1S/C26H20F14O4/c1-13(2)12-20(3,14-4-8-16(9-5-14)43-18(41)21(27,28)23(31,32)25(35,36)37)15-6-10-17(11-7-15)44-19(42)22(29,30)24(33,34)26(38,39)40/h4-11,13H,12H2,1-3H3
InChIKey YKHJGRHSYBLXMZ-UHFFFAOYSA-N
Mol Weight 662.42 g/mol
Molecular Formula C26H20F14O4
Exact Mass 662.113803 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JlZJuk1Stnj
Name 4,4'-(1,3-Dimethylbutylidene)bisphenol, bis(heptafluorobutyrate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 662.113803402 u
Formula C26H20F14O4
InChI InChI=1S/C26H20F14O4/c1-13(2)12-20(3,14-4-8-16(9-5-14)43-18(41)21(27,28)23(31,32)25(35,36)37)15-6-10-17(11-7-15)44-19(42)22(29,30)24(33,34)26(38,39)40/h4-11,13H,12H2,1-3H3
InChIKey YKHJGRHSYBLXMZ-UHFFFAOYSA-N
Molecular Weight 662.420 g/mol
SMILES C1(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC=C(C=C1)C(CC(C)C)(C)C1=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F