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Phthalic acid, ethyl 2-(pentafluorophenoxy)ethyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, ethyl 2-(pentafluorophenoxy)ethyl ester
SpectraBase Compound ID 3sXCrmV7o6H
InChI InChI=1S/C18H13F5O5/c1-2-26-17(24)9-5-3-4-6-10(9)18(25)28-8-7-27-16-14(22)12(20)11(19)13(21)15(16)23/h3-6H,2,7-8H2,1H3
InChIKey QMDQTXWPHIMDSJ-UHFFFAOYSA-N
Mol Weight 404.29 g/mol
Molecular Formula C18H13F5O5
Exact Mass 404.068314 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2DNFyciVCJM
Name Phthalic acid, ethyl 2-(pentafluorophenoxy)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.068314329 u
Formula C18H13F5O5
InChI InChI=1S/C18H13F5O5/c1-2-26-17(24)9-5-3-4-6-10(9)18(25)28-8-7-27-16-14(22)12(20)11(19)13(21)15(16)23/h3-6H,2,7-8H2,1H3
InChIKey QMDQTXWPHIMDSJ-UHFFFAOYSA-N
Molecular Weight 404.289 g/mol
SMILES C(C1=CC=CC=C1C(OCCOC1=C(C(=C(C(=C1F)F)F)F)F)=O)(OCC)=O