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Phthalic acid, 4-fluoro-2-nitrophenyl 3-methylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-fluoro-2-nitrophenyl 3-methylphenyl ester
SpectraBase Compound ID 4GK8VQZuKxC
InChI InChI=1S/C21H14FNO6/c1-13-5-4-6-15(11-13)28-20(24)16-7-2-3-8-17(16)21(25)29-19-10-9-14(22)12-18(19)23(26)27/h2-12H,1H3
InChIKey LSILJVKCBFLAFM-UHFFFAOYSA-N
Mol Weight 395.34 g/mol
Molecular Formula C21H14FNO6
Exact Mass 395.080515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EL6M7B7MEwH
Name Phthalic acid, 4-fluoro-2-nitrophenyl 3-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 395.080515332 u
Formula C21H14FNO6
InChI InChI=1S/C21H14FNO6/c1-13-5-4-6-15(11-13)28-20(24)16-7-2-3-8-17(16)21(25)29-19-10-9-14(22)12-18(19)23(26)27/h2-12H,1H3
InChIKey LSILJVKCBFLAFM-UHFFFAOYSA-N
Molecular Weight 395.342 g/mol
SMILES CC1=CC=CC(=C1)OC(C1=C(C(OC2=CC=C(C=C2N(=O)=O)F)=O)C=CC=C1)=O