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trans-4-(4-Methoxyphenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SpectraBase Compound ID CfO6tp4EVFC
InChI InChI=1S/C15H14N4O2/c1-8-12-13(9-3-5-10(21-2)6-4-9)11(7-16)15(20)17-14(12)19-18-8/h3-6,11,13H,1-2H3,(H2,17,18,19,20)/t11-,13-/m0/s1
InChIKey IIRAMYFMGHLZCI-AAEUAGOBSA-N
Mol Weight 282.3 g/mol
Molecular Formula C15H14N4O2
Exact Mass 282.111676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8eu8D45KWZO
Name trans-4-(4-Methoxyphenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14N4O2
InChI InChI=1S/C15H14N4O2/c1-8-12-13(9-3-5-10(21-2)6-4-9)11(7-16)15(20)17-14(12)19-18-8/h3-6,11,13H,1-2H3,(H2,17,18,19,20)/t11-,13-/m0/s1
InChIKey IIRAMYFMGHLZCI-AAEUAGOBSA-N
Literature Reference DOI 10.1002/cjoc.201180405
Molecular Weight 282.303 g/mol
SMILES N1c2n[nH]c(c2[C@]([C@@](C1=O)(C#N)[H])(c1ccc(cc1)OC)[H])C
SPLASH splash10-001i-0290000000-0ccdb12bd3838f245d84
Source of Spectrum CJC-29-2375-4c
Synonyms (4R,5R)-4-(4-methoxyphenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
Wiley ID 1772483