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2-[3, 4-Bis (4-fluorophenyl)-1-oxoisoquinolin-2(1H)-yl] pyridine 1-oxide
SpectraBase Compound ID 5FNNzaRPdJM
InChI InChI=1S/C26H16F2N2O2/c27-19-12-8-17(9-13-19)24-21-5-1-2-6-22(21)26(31)30(23-7-3-4-16-29(23)32)25(24)18-10-14-20(28)15-11-18/h1-16H
InChIKey HPLQULBSWWUHKW-UHFFFAOYSA-N
Mol Weight 426.42 g/mol
Molecular Formula C26H16F2N2O2
Exact Mass 426.117984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KGnBus2caqI
Name 2-[3, 4-Bis (4-fluorophenyl)-1-oxoisoquinolin-2(1H)-yl] pyridine 1-oxide
Appearance Colorless solid
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Exact Mass 426.117984087 u
Formula C26H16F2N2O2
InChI InChI=1S/C26H16F2N2O2/c27-19-12-8-17(9-13-19)24-21-5-1-2-6-22(21)26(31)30(23-7-3-4-16-29(23)32)25(24)18-10-14-20(28)15-11-18/h1-16H
InChIKey HPLQULBSWWUHKW-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201601101
Molecular Weight 426.423 g/mol
Reported Formula C26H16F2N2O
SMILES C1(N2C(=C(C=3C(C2=O)=CC=CC3)C2=CC=C(C=C2)F)C2=CC=C(C=C2)F)=CC=CC=[N+]1[O-]
SPLASH splash10-03di-0012900000-90891178e2a8b89de986
Source of Spectrum QE-22-SM19-5bb (DOI: 10.1002/chem.201601101)
Wiley ID 1903311