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E-Ethyl-2-benzylidene-3-oxo-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoate;major_isomer

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E-Ethyl-2-benzylidene-3-oxo-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoate;major_isomer
SpectraBase Compound ID 5LKX3J0UxUV
InChI InChI=1S/C18H11F13O3/c1-2-34-12(33)10(8-9-6-4-3-5-7-9)11(32)13(19,20)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31/h3-8H,2H2,1H3/b10-8+
InChIKey ZPFVMAZACJOPAB-CSKARUKUSA-N
Mol Weight 522.26 g/mol
Molecular Formula C18H11F13O3
Exact Mass 522.05006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2cHED6mGS7F
Name E-Ethyl-2-benzylidene-3-oxo-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoate;major_isomer
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 522.050060330 u
Formula C18H11F13O3
InChI InChI=1S/C18H11F13O3/c1-2-34-12(33)10(8-9-6-4-3-5-7-9)11(32)13(19,20)14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31/h3-8H,2H2,1H3/b10-8+
InChIKey ZPFVMAZACJOPAB-CSKARUKUSA-N
Molecular Weight 522.262 g/mol
SMILES C(=O)(\C(=C\C=1C=CC=CC1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC