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trans-3-Methyl-6-oxo-4-phenyl-4,5,6,7-tetrahydro-2Hpyrazolo[3,4-b]pyridine-5-carbonitrile
SpectraBase Compound ID 9aWCTlM6xZK
InChI InChI=1S/C14H12N4O/c1-8-11-12(9-5-3-2-4-6-9)10(7-15)14(19)16-13(11)18-17-8/h2-6,10,12H,1H3,(H2,16,17,18,19)/t10-,12-/m0/s1
InChIKey YEDWJXNZELHFQG-JQWIXIFHSA-N
Mol Weight 252.28 g/mol
Molecular Formula C14H12N4O
Exact Mass 252.101111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DT2wxGyx2EI
Name trans-3-Methyl-6-oxo-4-phenyl-4,5,6,7-tetrahydro-2Hpyrazolo[3,4-b]pyridine-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12N4O
InChI InChI=1S/C14H12N4O/c1-8-11-12(9-5-3-2-4-6-9)10(7-15)14(19)16-13(11)18-17-8/h2-6,10,12H,1H3,(H2,16,17,18,19)/t10-,12-/m0/s1
InChIKey YEDWJXNZELHFQG-JQWIXIFHSA-N
Literature Reference DOI 10.1002/cjoc.201180405
Molecular Weight 252.277 g/mol
SMILES N1c2n[nH]c(c2[C@]([C@@](C1=O)(C#N)[H])(c1ccccc1)[H])C
SPLASH splash10-0fc0-3940000000-48048cf5cef5947055c2
Source of Spectrum CJC-29-2375-4a
Synonyms (4R,5R)-3-methyl-6-oxo-4-phenyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
Wiley ID 1772482