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3-(4-Hydroxy-3-methoxyphenyl)lactic acid, ethyl ester, di-pfp

View entire compound with spectra: 1 NMR

3-(4-Hydroxy-3-methoxyphenyl)lactic acid, ethyl ester, di-pfp
SpectraBase Compound ID 6eSC4zcacgv
InChI InChI=1S/C18H14F10O7/c1-3-33-12(29)11(35-14(31)16(21,22)18(26,27)28)7-8-4-5-9(10(6-8)32-2)34-13(30)15(19,20)17(23,24)25/h4-6,11H,3,7H2,1-2H3
InChIKey JHWRPMNKZVTHKB-UHFFFAOYSA-N
Mol Weight 532.29 g/mol
Molecular Formula C18H14F10O7
Exact Mass 532.057984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1HiW46Uv0fW
Name 3-(4-Hydroxy-3-methoxyphenyl)lactic acid, ethyl ester, di-pfp
Comments Computed using HOSE algorithm
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Exact Mass 532.057984414 u
Formula C18H14F10O7
InChI InChI=1S/C18H14F10O7/c1-3-33-12(29)11(35-14(31)16(21,22)18(26,27)28)7-8-4-5-9(10(6-8)32-2)34-13(30)15(19,20)17(23,24)25/h4-6,11H,3,7H2,1-2H3
InChIKey JHWRPMNKZVTHKB-UHFFFAOYSA-N
Molecular Weight 532.287 g/mol
SMILES C1(=CC(=CC=C1OC(=O)C(F)(F)C(F)(F)F)CC(OC(=O)C(F)(F)C(F)(F)F)C(=O)OCC)OC