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1,5-Dihydroxynaphthalene, bis(pentafluoropropionate)

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1,5-Dihydroxynaphthalene, bis(pentafluoropropionate)
SpectraBase Compound ID 98bNDkCkTaH
InChI InChI=1S/C16H6F10O4/c17-13(18,15(21,22)23)11(27)29-9-5-1-3-7-8(9)4-2-6-10(7)30-12(28)14(19,20)16(24,25)26/h1-6H
InChIKey IVKBGXCHIOXYJI-UHFFFAOYSA-N
Mol Weight 452.2 g/mol
Molecular Formula C16H6F10O4
Exact Mass 452.01064 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H1MfwTgWoWO
Name 1,5-Dihydroxynaphthalene, bis(pentafluoropropionate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.010640299 u
Formula C16H6F10O4
InChI InChI=1S/C16H6F10O4/c17-13(18,15(21,22)23)11(27)29-9-5-1-3-7-8(9)4-2-6-10(7)30-12(28)14(19,20)16(24,25)26/h1-6H
InChIKey IVKBGXCHIOXYJI-UHFFFAOYSA-N
Molecular Weight 452.204 g/mol
SMILES C1=2C(=C(C=CC2)OC(C(C(F)(F)F)(F)F)=O)C=CC=C1OC(C(C(F)(F)F)(F)F)=O