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4-(4-Iodobenzoyl)-3-methyl-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
SpectraBase Compound ID CbP98SIawXQ
InChI InChI=1S/C14H12IN3O2/c1-7-12-10(6-11(19)16-14(12)18-17-7)13(20)8-2-4-9(15)5-3-8/h2-5,10H,6H2,1H3,(H2,16,17,18,19)
InChIKey JBIUTLYUMIBGJC-UHFFFAOYSA-N
Mol Weight 381.17 g/mol
Molecular Formula C14H12IN3O2
Exact Mass 380.997422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49Xg54xkx8Z
Name 4-(4-Iodobenzoyl)-3-methyl-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
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Formula C14H12IN3O2
InChI InChI=1S/C14H12IN3O2/c1-7-12-10(6-11(19)16-14(12)18-17-7)13(20)8-2-4-9(15)5-3-8/h2-5,10H,6H2,1H3,(H2,16,17,18,19)
InChIKey JBIUTLYUMIBGJC-UHFFFAOYSA-N
Molecular Weight 381.173 g/mol
SMILES N1C(CC(c2c1n[nH]c2C)C(c1ccc(cc1)I)=O)=O
SPLASH splash10-001i-2900000000-27b8c1162889a4eb50c9
Source of Spectrum HC-50-521-4g
Synonyms 4-(4-iodobenzoyl)-3-methyl-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6(7H)-one
Wiley ID 1739736