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

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3,4-Dihydroxyphenylpropionic acid, ethyl ester, di-pfp
SpectraBase Compound ID 4BKpQyzThVT
InChI InChI=1S/C17H12F10O6/c1-2-31-11(28)6-4-8-3-5-9(32-12(29)14(18,19)16(22,23)24)10(7-8)33-13(30)15(20,21)17(25,26)27/h3,5,7H,2,4,6H2,1H3
InChIKey CYAWFSXIEFEWCI-UHFFFAOYSA-N
Mol Weight 502.26 g/mol
Molecular Formula C17H12F10O6
Exact Mass 502.04742 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Coa0jRE3s6j
Name 3,4-Dihydroxyphenylpropionic acid, ethyl ester, di-pfp
Comments Computed using HOSE algorithm
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Exact Mass 502.047419730 u
Formula C17H12F10O6
InChI InChI=1S/C17H12F10O6/c1-2-31-11(28)6-4-8-3-5-9(32-12(29)14(18,19)16(22,23)24)10(7-8)33-13(30)15(20,21)17(25,26)27/h3,5,7H,2,4,6H2,1H3
InChIKey CYAWFSXIEFEWCI-UHFFFAOYSA-N
Molecular Weight 502.261 g/mol
SMILES C1(=CC(=CC=C1OC(=O)C(F)(F)C(F)(F)F)CCC(OCC)=O)OC(=O)C(F)(F)C(F)(F)F