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3,4-Dihydroxyphenylacetic acid, ethyl ester, di-pfp

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

3,4-Dihydroxyphenylacetic acid, ethyl ester, di-pfp
SpectraBase Compound ID KPMgwfNkb9e
InChI InChI=1S/C16H10F10O6/c1-2-30-10(27)6-7-3-4-8(31-11(28)13(17,18)15(21,22)23)9(5-7)32-12(29)14(19,20)16(24,25)26/h3-5H,2,6H2,1H3
InChIKey LOILRZVXNSNQGJ-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 6JjUo9cDFbo
Name 3,4-Dihydroxyphenylacetic acid, ethyl ester, di-pfp
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/c1-2-30-10(27)6-7-3-4-8(31-11(28)13(17,18)15(21,22)23)9(5-7)32-12(29)14(19,20)16(24,25)26/h3-5H,2,6H2,1H3
InChIKey LOILRZVXNSNQGJ-UHFFFAOYSA-N
Molecular Weight 488.234 g/mol
SMILES C1(=CC(=CC=C1OC(=O)C(C(F)(F)F)(F)F)CC(=O)OCC)OC(=O)C(C(F)(F)F)(F)F