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Phthalic acid, 3,5-difluorophenyl 3-nitrophenyl ester

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Phthalic acid, 3,5-difluorophenyl 3-nitrophenyl ester
SpectraBase Compound ID 1azCe0bDy5p
InChI InChI=1S/C20H11F2NO6/c21-12-8-13(22)10-16(9-12)29-20(25)18-7-2-1-6-17(18)19(24)28-15-5-3-4-14(11-15)23(26)27/h1-11H
InChIKey UNXABFLBZZEXMB-UHFFFAOYSA-N
Mol Weight 399.31 g/mol
Molecular Formula C20H11F2NO6
Exact Mass 399.055443 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 98MGQ5hSpcQ
Name Phthalic acid, 3,5-difluorophenyl 3-nitrophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 399.055443398 u
Formula C20H11F2NO6
InChI InChI=1S/C20H11F2NO6/c21-12-8-13(22)10-16(9-12)29-20(25)18-7-2-1-6-17(18)19(24)28-15-5-3-4-14(11-15)23(26)27/h1-11H
InChIKey UNXABFLBZZEXMB-UHFFFAOYSA-N
Molecular Weight 399.306 g/mol
SMILES C1(=C(C=CC=C1)C(OC1=CC(=CC(=C1)F)F)=O)C(OC1=CC(=CC=C1)N(=O)=O)=O