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(3,4-Dihydroxyphenyl)ethylene glycol tetrakis(pentafluoropropionate)

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(3,4-Dihydroxyphenyl)ethylene glycol tetrakis(pentafluoropropionate)
SpectraBase Compound ID 5ued7FwHT3x
InChI InChI=1S/C20H6F20O8/c21-13(22,17(29,30)31)9(41)45-4-8(48-12(44)16(27,28)20(38,39)40)5-1-2-6(46-10(42)14(23,24)18(32,33)34)7(3-5)47-11(43)15(25,26)19(35,36)37/h1-3,8H,4H2
InChIKey CMPMPOCUQNKYNK-UHFFFAOYSA-N
Mol Weight 754.23 g/mol
Molecular Formula C20H6F20O8
Exact Mass 753.97433 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8HifLLLxfQt
Name (3,4-Dihydroxyphenyl)ethylene glycol tetrakis(pentafluoropropionate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 753.974330405 u
Formula C20H6F20O8
InChI InChI=1S/C20H6F20O8/c21-13(22,17(29,30)31)9(41)45-4-8(48-12(44)16(27,28)20(38,39)40)5-1-2-6(46-10(42)14(23,24)18(32,33)34)7(3-5)47-11(43)15(25,26)19(35,36)37/h1-3,8H,4H2
InChIKey CMPMPOCUQNKYNK-UHFFFAOYSA-N
Molecular Weight 754.228 g/mol
SMILES C1(=CC(=CC=C1OC(=O)C(F)(F)C(F)(F)F)C(COC(=O)C(F)(F)C(F)(F)F)OC(=O)C(F)(F)C(F)(F)F)OC(=O)C(F)(F)C(F)(F)F