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2-[5,7-Dimethyl-1-oxo-3-phenylisoquinolin-2(1H)-yl]-pyridine-1-oxide
SpectraBase Compound ID 2KfK2U0e6st
InChI InChI=1S/C22H18N2O2/c1-15-12-16(2)18-14-20(17-8-4-3-5-9-17)24(22(25)19(18)13-15)21-10-6-7-11-23(21)26/h3-14H,1-2H3
InChIKey WOPROUALZABTHY-UHFFFAOYSA-N
Mol Weight 342.4 g/mol
Molecular Formula C22H18N2O2
Exact Mass 342.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BLeicTtoRcF
Name 2-[5,7-Dimethyl-1-oxo-3-phenylisoquinolin-2(1H)-yl]-pyridine-2-oxide
Appearance White solid
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Exact Mass 342.136827826 u
Formula C22H18N2O2
InChI InChI=1S/C22H18N2O2/c1-15-12-16(2)18-14-20(17-8-4-3-5-9-17)24(22(25)19(18)13-15)21-10-6-7-11-23(21)26/h3-14H,1-2H3
InChIKey WOPROUALZABTHY-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201712647
Molecular Weight 342.398 g/mol
Quality 159
Reported Formula C22H18N2O2
SMILES C1(=CC2=C(C(=C1)C)C=C(N(C2=O)C=1[N+](=CC=CC1)[O-])C=1C=CC=CC1)C
SPLASH splash10-0060-6944000000-21c965a613e9177a4972
Source of Spectrum ACI-57-SM13-3ma (DOI: 10.1002/anie.201712647)
Wiley ID 1891222