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2-[6-Methyl-1-oxo-3-phenylisoquinolin-2(1H)-yl] pyridine 1-oxide
SpectraBase Compound ID 7N01qYjiCh8
InChI InChI=1S/C21H16N2O2/c1-15-10-11-18-17(13-15)14-19(16-7-3-2-4-8-16)23(21(18)24)20-9-5-6-12-22(20)25/h2-14H,1H3
InChIKey BRELEDHQTIGGFH-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 EFal2lA6qi9
Name 2-[6-Methyl-1-oxo-3-phenylisoquinolin-2(1H)-yl] pyridine 1-oxide
Appearance Colorless solid
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Exact Mass 328.121177761 u
Formula C21H16N2O2
InChI InChI=1S/C21H16N2O2/c1-15-10-11-18-17(13-15)14-19(16-7-3-2-4-8-16)23(21(18)24)20-9-5-6-12-22(20)25/h2-14H,1H3
InChIKey BRELEDHQTIGGFH-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201601101
Molecular Weight 328.371 g/mol
Quality 21
Reported Formula C21H16N2O2
SMILES C1(N2C(=CC=3C(C2=O)=CC=C(C3)C)C2=CC=CC=C2)=CC=CC=[N+]1[O-]
SPLASH splash10-001i-0922000000-a6ddb89361c5c6e536a3
Source of Spectrum QE-22-SM8-3aa (DOI: 10.1002/chem.201601101)
Wiley ID 1903294