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2-[3-(4-Fluorophenyl)-1-oxoisoquinolin-2(1H)-yl]-pyridine 1-oxide
SpectraBase Compound ID Aw32KbwFdfV
InChI InChI=1S/C20H13FN2O2/c21-16-10-8-14(9-11-16)18-13-15-5-1-2-6-17(15)20(24)23(18)19-7-3-4-12-22(19)25/h1-13H
InChIKey FWCFGGBXLDEQFI-UHFFFAOYSA-N
Mol Weight 332.33 g/mol
Molecular Formula C20H13FN2O2
Exact Mass 332.096106 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9pCFlxWBUpq
Name 2-[3-(4-Fluorophenyl)-1-oxoisoquinolin-2(1H)-yl]-pyridine 1-oxide
Appearance White solid
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Formula C20H13FN2O2
InChI InChI=1S/C20H13FN2O2/c21-16-10-8-14(9-11-16)18-13-15-5-1-2-6-17(15)20(24)23(18)19-7-3-4-12-22(19)25/h1-13H
InChIKey FWCFGGBXLDEQFI-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/cssc.202000057
Molecular Weight 332.334 g/mol
Reported Formula C20H13FN2O2
SMILES c1cc2c(cc1)C=C(N(C2=O)c1[n+](cccc1)[O-])c1ccc(cc1)F
SPLASH splash10-0032-5953000000-4763abb396623e87536c
Source of Spectrum CSC-13-SM19-3ad
Wiley ID 1840051