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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 5p93nK8bAbt
Name 2-[1-Oxo-3-(p-tolyl) isoquinolin-2(1H)-yl] pyridine 1-oxide
Appearance Colorless solid
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Exact Mass 328.121177761 u
Formula C21H16N2O2
InChI InChI=1S/C21H16N2O2/c1-15-9-11-16(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/chem.201601101
Molecular Weight 328.371 g/mol
Quality 20
Reported Formula C21H16N2O2
SMILES C1(N2C(=CC=3C(C2=O)=CC=CC3)C2=CC=C(C=C2)C)=CC=CC=[N+]1[O-]
SPLASH splash10-0002-0933000000-18e8018705e34e9f5294
Source of Spectrum QE-22-SM6-3bc (DOI: 10.1002/chem.201601101)
Wiley ID 1903297