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2-[3-(4-Methoxyphenyl)-1-oxoisoquinolin-2(1H)-yl]-pyridine 1-oxide
SpectraBase Compound ID 90wLL2lIHie
InChI InChI=1S/C21H16N2O3/c1-26-17-11-9-15(10-12-17)19-14-16-6-2-3-7-18(16)21(24)23(19)20-8-4-5-13-22(20)25/h2-14H,1H3
InChIKey JAWIHWKLVSEJOZ-UHFFFAOYSA-N
Mol Weight 344.37 g/mol
Molecular Formula C21H16N2O3
Exact Mass 344.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4iZxegUQ7qd
Name 2-[3-(4-Methoxyphenyl)-1-oxoisoquinolin-2(1H)-yl]-pyridine 1-oxide
Appearance White solid
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Formula C21H16N2O3
InChI InChI=1S/C21H16N2O3/c1-26-17-11-9-15(10-12-17)19-14-16-6-2-3-7-18(16)21(24)23(19)20-8-4-5-13-22(20)25/h2-14H,1H3
InChIKey JAWIHWKLVSEJOZ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/cssc.202000057
Molecular Weight 344.370 g/mol
Reported Formula C21H16N2O3
SMILES c1cc2c(cc1)C=C(N(C2=O)c1[n+](cccc1)[O-])c1ccc(cc1)OC
SPLASH splash10-01t9-4095000000-8a80aa058db078d46b50
Source of Spectrum CSC-13-SM18-3ac
Wiley ID 1840050