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2-[8-Fluoro-1-oxo-3-phenylisoquinolin-2(1H)-yl]-pyridine-2-oxide
SpectraBase Compound ID B7y0MrHoVCo
InChI InChI=1S/C20H13FN2O2/c21-16-10-6-9-15-13-17(14-7-2-1-3-8-14)23(20(24)19(15)16)18-11-4-5-12-22(18)25/h1-13H
InChIKey LMOJXWDPSURPSY-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 AHH8cDWeLcA
Name 2-[8-Fluoro-1-oxo-3-phenylisoquinolin-2(1H)-yl]-pyridine-2-oxide
Appearance Colorless oil
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Exact Mass 332.096105828 u
Formula C20H13FN2O2
InChI InChI=1S/C20H13FN2O2/c21-16-10-6-9-15-13-17(14-7-2-1-3-8-14)23(20(24)19(15)16)18-11-4-5-12-22(18)25/h1-13H
InChIKey LMOJXWDPSURPSY-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201712647
Molecular Weight 332.334 g/mol
Quality 190
Reported Formula C20H13FN2O2
SMILES C1=C(C2=C(C=C1)C=C(N(C2=O)C=1[N+](=CC=CC1)[O-])C=1C=CC=CC1)F
SPLASH splash10-003r-7956000000-8f92dba2fa5cceb0413d
Source of Spectrum ACI-57-SM12-3ka (DOI: 10.1002/anie.201712647)
Wiley ID 1891221