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thyl 3-Oxo-2-phenyl-6-m-tolyl-2,3-dihydro-1H-pyrazolo-[3,4-b]pyridine-4-carboxylate
SpectraBase Compound ID 8KYvmOy3p38
InChI InChI=1S/C22H19N3O3/c1-3-28-22(27)17-13-18(15-9-7-8-14(2)12-15)23-20-19(17)21(26)25(24-20)16-10-5-4-6-11-16/h4-13H,3H2,1-2H3,(H,23,24)
InChIKey IPQHJGZJUNVBSD-UHFFFAOYSA-N
Mol Weight 373.41 g/mol
Molecular Formula C22H19N3O3
Exact Mass 373.142641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRPGTTDdGbU
Name thyl 3-Oxo-2-phenyl-6-m-tolyl-2,3-dihydro-1H-pyrazolo-[3,4-b]pyridine-4-carboxylate
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.142641481 u
Formula C22H19N3O3
InChI InChI=1S/C22H19N3O3/c1-3-28-22(27)17-13-18(15-9-7-8-14(2)12-15)23-20-19(17)21(26)25(24-20)16-10-5-4-6-11-16/h4-13H,3H2,1-2H3,(H,23,24)
InChIKey IPQHJGZJUNVBSD-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800163
Molecular Weight 373.412 g/mol
Quality 106
Reported Formula C22H19N3O3
SMILES N1N(C(C=2C1=NC(=CC2C(OCC)=O)C1=CC(=CC=C1)C)=O)C1=CC=CC=C1
SPLASH splash10-00di-1009000000-c524ae5ff062005cb00e
Source of Spectrum K1-2018-2639-2j (DOI: 10.1002/ejoc.201800163)
Wiley ID 1891659