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3,4-Dihydroxyhydrocinnamic acid, o,o'-bis(trifluoroacetyl)-, 2,2,3,3-tetrafluoro-1-propyl ester

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3,4-Dihydroxyhydrocinnamic acid, o,o'-bis(trifluoroacetyl)-, 2,2,3,3-tetrafluoro-1-propyl ester
SpectraBase Compound ID JwcO3URhFlM
InChI InChI=1S/C16H10F10O6/c17-11(18)14(19,20)6-30-10(27)4-2-7-1-3-8(31-12(28)15(21,22)23)9(5-7)32-13(29)16(24,25)26/h1,3,5,11H,2,4,6H2
InChIKey QZUYHGXRPJGVEG-UHFFFAOYSA-N
Mol Weight 488.23 g/mol
Molecular Formula C16H10F10O6
Exact Mass 488.03177 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3v7QS3La72p
Name 3,4-Dihydroxyhydrocinnamic acid, o,o'-bis(trifluoroacetyl)-, 2,2,3,3-tetrafluoro-1-propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.031769666 u
Formula C16H10F10O6
InChI InChI=1S/C16H10F10O6/c17-11(18)14(19,20)6-30-10(27)4-2-7-1-3-8(31-12(28)15(21,22)23)9(5-7)32-13(29)16(24,25)26/h1,3,5,11H,2,4,6H2
InChIKey QZUYHGXRPJGVEG-UHFFFAOYSA-N
Molecular Weight 488.234 g/mol
SMILES C1(=C(C=CC(=C1)CCC(=O)OCC(C(F)F)(F)F)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O