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Methyl 3-Oxo-2-phenyl-6-p-tolyl-2,3-dihydro-1H-pyrazolo-[3,4-b]pyridine-4-carboxylate
SpectraBase Compound ID DKLAM5nmhrN
InChI InChI=1S/C21H17N3O3/c1-13-8-10-14(11-9-13)17-12-16(21(26)27-2)18-19(22-17)23-24(20(18)25)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,23)
InChIKey OXKWLQIJLFWNOZ-UHFFFAOYSA-N
Mol Weight 359.39 g/mol
Molecular Formula C21H17N3O3
Exact Mass 359.126991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID y5u87M4idH
Name Methyl 3-Oxo-2-phenyl-6-p-tolyl-2,3-dihydro-1H-pyrazolo-[3,4-b]pyridine-4-carboxylate
Appearance Brown solid
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Exact Mass 359.126991416 u
Formula C21H17N3O3
InChI InChI=1S/C21H17N3O3/c1-13-8-10-14(11-9-13)17-12-16(21(26)27-2)18-19(22-17)23-24(20(18)25)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,23)
InChIKey OXKWLQIJLFWNOZ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800163
Molecular Weight 359.385 g/mol
Quality 183
Reported Formula C21H17N3O3
SMILES N1N(C(C=2C1=NC(=CC2C(=O)OC)C1=CC=C(C=C1)C)=O)C1=CC=CC=C1
SPLASH splash10-0zi1-1039000000-ab5b441a0598dc42e838
Source of Spectrum K1-2018-2639-2l (DOI: 10.1002/ejoc.201800163)
Wiley ID 1891661