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Ethyl (3-Methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridine-4-carboxamido)benzoate
SpectraBase Compound ID 4aiNH6EmvDM
InChI InChI=1S/C23H22N4O4/c1-3-31-23(30)16-11-7-8-12-18(16)24-22(29)17-13-19(28)25-21-20(17)14(2)26-27(21)15-9-5-4-6-10-15/h4-12,17H,3,13H2,1-2H3,(H,24,29)(H,25,28)
InChIKey PDDKJYMUFHHASB-UHFFFAOYSA-N
Mol Weight 418.45 g/mol
Molecular Formula C23H22N4O4
Exact Mass 418.164105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6nMTWreJtS
Name Ethyl (3-Methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridine-4-carboxamido)benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C23H22N4O4
InChI InChI=1S/C23H22N4O4/c1-3-31-23(30)16-11-7-8-12-18(16)24-22(29)17-13-19(28)25-21-20(17)14(2)26-27(21)15-9-5-4-6-10-15/h4-12,17H,3,13H2,1-2H3,(H,24,29)(H,25,28)
InChIKey PDDKJYMUFHHASB-UHFFFAOYSA-N
Molecular Weight 418.453 g/mol
SMILES N(C(C1c2c([n](nc2C)-c2ccccc2)NC(C1)=O)=O)c1c(C(=O)OCC)cccc1
SPLASH splash10-004i-0090100000-f61f23dc561e21d15b7e
Source of Spectrum F4-43-792-9g
Wiley ID 1675347