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2-[1-Oxo-3-(p-tolyl) isoquinolin-2(1H)-yl] pyridine 1-oxide
SpectraBase Compound ID 2CbvQoxNpNs
InChI InChI=1S/C21H16N2O2/c1-15-9-11-16(12-10-15)19-14-17-6-2-3-7-18(17)21(24)23(19)20-8-4-5-13-22(20)25/h2-14H,1H3
InChIKey UKGJAWSZEBJLKH-UHFFFAOYSA-N
Mol Weight 328.37 g/mol
Molecular Formula C21H16N2O2
Exact Mass 328.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ft99wznM0DX
Name 2-[1-Oxo-3-(p-tolyl)isoquinolin-2(1H)-yl]-pyridine-1-oxide
Appearance White solid
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Formula C21H16N2O2
InChI InChI=1S/C21H16N2O2/c1-15-9-11-16(12-10-15)19-14-17-6-2-3-7-18(17)21(24)23(19)20-8-4-5-13-22(20)25/h2-14H,1H3
InChIKey UKGJAWSZEBJLKH-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/cssc.202000057
Molecular Weight 328.371 g/mol
Reported Formula C21H16N2O2
SMILES c1cc2c(cc1)C=C(N(C2=O)c1[n+](cccc1)[O-])c1ccc(cc1)C
SPLASH splash10-03gi-3398000000-dacff5f0f781ed174ccf
Source of Spectrum CSC-13-SM18-3ab
Wiley ID 1840049