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Benzenamine, 4-methoxy-N-[(3-phenyl-2-quinoxalinyl)methylene]-, N,N'-dioxide
SpectraBase Compound ID KU36pcjgCIn
InChI InChI=1S/C22H17N3O3/c1-28-18-13-11-17(12-14-18)23-15-21-22(16-7-3-2-4-8-16)25(27)20-10-6-5-9-19(20)24(21)26/h2-15H,1H3/b23-15+
InChIKey CTQGLUZQWCAGSC-HZHRSRAPSA-N
Mol Weight 371.4 g/mol
Molecular Formula C22H17N3O3
Exact Mass 371.126991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FEiSzWULDb3
Name Benzenamine, 4-methoxy-N-[(3-phenyl-2-quinoxalinyl)methylene]-, N,N'-dioxide
Comments Computed using HOSE algorithm
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Exact Mass 371.126991416 u
Formula C22H17N3O3
InChI InChI=1S/C22H17N3O3/c1-28-18-13-11-17(12-14-18)23-15-21-22(16-7-3-2-4-8-16)25(27)20-10-6-5-9-19(20)24(21)26/h2-15H,1H3/b23-15+
InChIKey CTQGLUZQWCAGSC-HZHRSRAPSA-N
Molecular Weight 371.396 g/mol
SMILES C1(=[N+](C=2C([N+](=C1\C=N\C=1C=CC(=CC1)OC)[O-])=CC=CC2)[O-])C1=CC=CC=C1