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1-(2H-1,3-benzodioxol-5-ylmethyl)-4-(2-chloro-6-fluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
SpectraBase Compound ID 8SZlBbpBpqy
InChI InChI=1S/C20H15ClFN3O3/c21-14-2-1-3-15(22)19(14)12-7-18(26)24-20-13(12)8-23-25(20)9-11-4-5-16-17(6-11)28-10-27-16/h1-6,8,12H,7,9-10H2,(H,24,26)
InChIKey LHFDXDLRVFFCAX-UHFFFAOYSA-N
Mol Weight 399.81 g/mol
Molecular Formula C20H15ClFN3O3
Exact Mass 399.078597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4pvdaZ9WR7
Name 1-(2H-1,3-benzodioxol-5-ylmethyl)-4-(2-chloro-6-fluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
Alternate Name(s) 6H-Pyrazolo[3,4-b]pyridin-6-one, 1-(1,3-benzodioxol-5-ylmethyl)-4-(2-chloro-6-fluorophenyl)-1,4,5,7-tetrahydro-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15ClFN3O3
InChI InChI=1S/C20H15ClFN3O3/c21-14-2-1-3-15(22)19(14)12-7-18(26)24-20-13(12)8-23-25(20)9-11-4-5-16-17(6-11)28-10-27-16/h1-6,8,12H,7,9-10H2,(H,24,26)
InChIKey LHFDXDLRVFFCAX-UHFFFAOYSA-N
Molecular Weight 399.809 g/mol
SMILES N1C(CC(c2c1[n](nc2)Cc1ccc2OCOc2c1)c1c(cccc1F)Cl)=O
SPLASH splash10-000i-4900000000-5a3e330ce79a0762da57
Source of Spectrum IY-2-5077-7
Wiley ID 1658760