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Methyl 6-(3,4-Dimethoxyphenyl)-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazolo[3,4-b]pyridine-4-carboxylate
SpectraBase Compound ID IUVcg6kWZA8
InChI InChI=1S/C22H19N3O5/c1-28-17-10-9-13(11-18(17)29-2)16-12-15(22(27)30-3)19-20(23-16)24-25(21(19)26)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,23,24)
InChIKey ORXFIRHZQVVKPP-UHFFFAOYSA-N
Mol Weight 405.41 g/mol
Molecular Formula C22H19N3O5
Exact Mass 405.132471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BeFED2vaitf
Name Methyl 6-(3,4-Dimethoxyphenyl)-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazolo[3,4-b]pyridine-4-carboxylate
Appearance Orange solid
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Exact Mass 405.132470719 u
Formula C22H19N3O5
InChI InChI=1S/C22H19N3O5/c1-28-17-10-9-13(11-18(17)29-2)16-12-15(22(27)30-3)19-20(23-16)24-25(21(19)26)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,23,24)
InChIKey ORXFIRHZQVVKPP-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800163
Molecular Weight 405.410 g/mol
Quality 102
Reported Formula C22H19N3O5
SMILES N1N(C(C=2C1=NC(=CC2C(OC)=O)C1=CC(=C(C=C1)OC)OC)=O)C1=CC=CC=C1
SPLASH splash10-0a4i-1004900000-7a28ae1ea0c6cc21bed0
Source of Spectrum K1-2018-2638-2g (DOI: 10.1002/ejoc.201800163)
Wiley ID 1891656