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Phthalic acid, 4-cyanophenyl 3,5-difluorophenyl ester

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Phthalic acid, 4-cyanophenyl 3,5-difluorophenyl ester
SpectraBase Compound ID 1gjqiTK2sx7
InChI InChI=1S/C21H11F2NO4/c22-14-9-15(23)11-17(10-14)28-21(26)19-4-2-1-3-18(19)20(25)27-16-7-5-13(12-24)6-8-16/h1-11H
InChIKey ZRZJOWXVAOYGAW-UHFFFAOYSA-N
Mol Weight 379.32 g/mol
Molecular Formula C21H11F2NO4
Exact Mass 379.065614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3wmkML6FsW9
Name Phthalic acid, 4-cyanophenyl 3,5-difluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 379.065614160 u
Formula C21H11F2NO4
InChI InChI=1S/C21H11F2NO4/c22-14-9-15(23)11-17(10-14)28-21(26)19-4-2-1-3-18(19)20(25)27-16-7-5-13(12-24)6-8-16/h1-11H
InChIKey ZRZJOWXVAOYGAW-UHFFFAOYSA-N
Molecular Weight 379.319 g/mol
SMILES C1(=C(C=CC=C1)C(OC1=CC=C(C#N)C=C1)=O)C(OC1=CC(=CC(=C1)F)F)=O