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Bisphenol E, bis(heptafluorobutyrate)

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

Bisphenol E, bis(heptafluorobutyrate)
SpectraBase Compound ID 3gb7bBXMZmc
InChI InChI=1S/C22H12F14O4/c1-10(11-2-6-13(7-3-11)39-15(37)17(23,24)19(27,28)21(31,32)33)12-4-8-14(9-5-12)40-16(38)18(25,26)20(29,30)22(34,35)36/h2-10H,1H3
InChIKey HZOHLFQGTDLFIJ-UHFFFAOYSA-N
Mol Weight 606.31 g/mol
Molecular Formula C22H12F14O4
Exact Mass 606.051203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6QDCw1IdrLK
Name Bisphenol E, bis(heptafluorobutyrate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 606.051203144 u
Formula C22H12F14O4
InChI InChI=1S/C22H12F14O4/c1-10(11-2-6-13(7-3-11)39-15(37)17(23,24)19(27,28)21(31,32)33)12-4-8-14(9-5-12)40-16(38)18(25,26)20(29,30)22(34,35)36/h2-10H,1H3
InChIKey HZOHLFQGTDLFIJ-UHFFFAOYSA-N
Molecular Weight 606.312 g/mol
SMILES C(C)(C1=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C1=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F