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2-[5,6,7-Trimethoxy-1-oxo-3-phenylisoquinolin-2(1H)-yl]-pyridine-2-oxide
SpectraBase Compound ID 2k0N2XjlDBi
InChI InChI=1S/C23H20N2O5/c1-28-19-14-17-16(21(29-2)22(19)30-3)13-18(15-9-5-4-6-10-15)25(23(17)26)20-11-7-8-12-24(20)27/h4-14H,1-3H3
InChIKey UIVZUIHIJIJFCC-UHFFFAOYSA-N
Mol Weight 404.42 g/mol
Molecular Formula C23H20N2O5
Exact Mass 404.137222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qcN8P8v9hk
Name 2-[5,6,7-Trimethoxy-1-oxo-3-phenylisoquinolin-2(1H)-yl]-pyridine-2-oxide
Appearance White solid
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Formula C23H20N2O5
InChI InChI=1S/C23H20N2O5/c1-28-19-14-17-16(21(29-2)22(19)30-3)13-18(15-9-5-4-6-10-15)25(23(17)26)20-11-7-8-12-24(20)27/h4-14H,1-3H3
InChIKey UIVZUIHIJIJFCC-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201712647
Molecular Weight 404.422 g/mol
Quality 200
Reported Formula C23H20N2O5
SMILES C1(=CC2=C(C(=C1OC)OC)C=C(N(C2=O)C=1[N+](=CC=CC1)[O-])C=1C=CC=CC1)OC
SPLASH splash10-001r-3906000000-44c8acbec16a0007e1e2
Source of Spectrum ACI-57-SM14-3oa (DOI: 10.1002/anie.201712647)
Wiley ID 1891226