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1-(2H-1,3-benzodioxol-5-ylmethyl)-4-(2-chlorophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
SpectraBase Compound ID 1pOOCF8Ymxp
InChI InChI=1S/C20H16ClN3O3/c21-16-4-2-1-3-13(16)14-8-19(25)23-20-15(14)9-22-24(20)10-12-5-6-17-18(7-12)27-11-26-17/h1-7,9,14H,8,10-11H2,(H,23,25)
InChIKey KEBCXTVZKDCCOS-UHFFFAOYSA-N
Mol Weight 381.82 g/mol
Molecular Formula C20H16ClN3O3
Exact Mass 381.088019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2FFR4tFEYQD
Name 1-(2H-1,3-benzodioxol-5-ylmethyl)-4-(2-chlorophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16ClN3O3
InChI InChI=1S/C20H16ClN3O3/c21-16-4-2-1-3-13(16)14-8-19(25)23-20-15(14)9-22-24(20)10-12-5-6-17-18(7-12)27-11-26-17/h1-7,9,14H,8,10-11H2,(H,23,25)
InChIKey KEBCXTVZKDCCOS-UHFFFAOYSA-N
Molecular Weight 381.819 g/mol
SMILES N1C(CC(c2c1[n](nc2)Cc1ccc2OCOc2c1)c1ccccc1Cl)=O
SPLASH splash10-000i-3901000000-7ae1af214876a567cea8
Source of Spectrum IY-2-5064-7
Synonyms 6H-Pyrazolo[3,4-b]pyridin-6-one, 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-chlorophenyl)-1,4,5,7-tetrahydro-
Wiley ID 1658630