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4-(4-Chlorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SpectraBase Compound ID 1llAkk2vj11
InChI InChI=1S/C14H11ClN4O/c1-7-11-12(8-2-4-9(15)5-3-8)10(6-16)14(20)17-13(11)19-18-7/h2-5,10,12H,1H3,(H2,17,18,19,20)/t10-,12-/m0/s1
InChIKey ZXUHYUWJYQIRBQ-JQWIXIFHSA-N
Mol Weight 286.72 g/mol
Molecular Formula C14H11ClN4O
Exact Mass 286.062139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D6iF8v6B80A
Name 4-(4-Chlorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
Alternate Name(s) (4R,5R)-4-(4-chlorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (4R,5R)-4-(4-chlorophenyl)-3-methyl-6-oxo-1,2,4,5-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile (4R,5R)-4-(4-chlorophenyl)-3-methyl-6-oxidanylidene-1,2,4,5-tetrahydropyrazolo[3,4-b]pyridine-5-carbonitrile
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Formula C14H11ClN4O
InChI InChI=1S/C14H11ClN4O/c1-7-11-12(8-2-4-9(15)5-3-8)10(6-16)14(20)17-13(11)19-18-7/h2-5,10,12H,1H3,(H2,17,18,19,20)/t10-,12-/m0/s1
InChIKey ZXUHYUWJYQIRBQ-JQWIXIFHSA-N
Literature Reference DOI 10.1002/cjoc.201180405
Molecular Weight 286.722 g/mol
SMILES N1c2n[nH]c(c2[C@]([C@@](C1=O)(C#N)[H])(c1ccc(cc1)Cl)[H])C
SPLASH splash10-014i-5090000000-e405665342bb5b5c25be
Source of Spectrum CJC-29-2375-4d
Wiley ID 1772484