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Tert-butylhydroquinone, bis(pentafluoropropionate)

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Tert-butylhydroquinone, bis(pentafluoropropionate)
SpectraBase Compound ID ANmUd66cUpH
InChI InChI=1S/C16H12F10O4/c1-12(2,3)8-6-7(29-10(27)13(17,18)15(21,22)23)4-5-9(8)30-11(28)14(19,20)16(24,25)26/h4-6H,1-3H3
InChIKey ADELXQSVWBWHJA-UHFFFAOYSA-N
Mol Weight 458.25 g/mol
Molecular Formula C16H12F10O4
Exact Mass 458.05759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FldL9zSILzo
Name Tert-butylhydroquinone, bis(pentafluoropropionate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.057590492 u
Formula C16H12F10O4
InChI InChI=1S/C16H12F10O4/c1-12(2,3)8-6-7(29-10(27)13(17,18)15(21,22)23)4-5-9(8)30-11(28)14(19,20)16(24,25)26/h4-6H,1-3H3
InChIKey ADELXQSVWBWHJA-UHFFFAOYSA-N
Molecular Weight 458.252 g/mol
SMILES C1(=CC(=CC=C1OC(C(C(F)(F)F)(F)F)=O)OC(C(C(F)(F)F)(F)F)=O)C(C)(C)C