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Ethyl (E)-3-(4-methoxyphenyl)imino-3-perfluorohexylpropanoate

View entire compound with spectra: 2 NMR

Ethyl (E)-3-(4-methoxyphenyl)imino-3-perfluorohexylpropanoate
SpectraBase Compound ID K3iVyTalNub
InChI InChI=1S/C18H14F13NO3/c1-3-35-12(33)8-11(32-9-4-6-10(34-2)7-5-9)13(19,20)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31/h4-7H,3,8H2,1-2H3/b32-11+
InChIKey BIPAXMBYGKBWKY-MPRHAZATSA-N
Mol Weight 539.29 g/mol
Molecular Formula C18H14F13NO3
Exact Mass 539.076609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2GjO87chaGT
Name Ethyl (E)-3-(4-methoxyphenyl)imino-3-perfluorohexylpropanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 539.076609431 u
Formula C18H14F13NO3
InChI InChI=1S/C18H14F13NO3/c1-3-35-12(33)8-11(32-9-4-6-10(34-2)7-5-9)13(19,20)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31/h4-7H,3,8H2,1-2H3/b32-11+
InChIKey BIPAXMBYGKBWKY-MPRHAZATSA-N
Molecular Weight 539.293 g/mol
SMILES C(OCC)(=O)C\C(=N/c1ccc(cc1)OC)C(C(C(F)(F)C(F)(F)C(C(F)(F)F)(F)F)(F)F)(F)F