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1-(2H-1,3-benzodioxol-5-ylmethyl)-4-[2-(trifluoromethyl)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

View entire compound with spectra: 1 MS (GC)

1-(2H-1,3-benzodioxol-5-ylmethyl)-4-[2-(trifluoromethyl)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
SpectraBase Compound ID IWEOBOQEJSh
InChI InChI=1S/C21H16F3N3O3/c22-21(23,24)16-4-2-1-3-13(16)14-8-19(28)26-20-15(14)9-25-27(20)10-12-5-6-17-18(7-12)30-11-29-17/h1-7,9,14H,8,10-11H2,(H,26,28)
InChIKey FVROXGDVQBPKLO-UHFFFAOYSA-N
Mol Weight 415.37 g/mol
Molecular Formula C21H16F3N3O3
Exact Mass 415.114376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7n7ctpx8vHt
Name 1-(2H-1,3-benzodioxol-5-ylmethyl)-4-[2-(trifluoromethyl)phenyl]-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)-1,4,5,7-tetrahydro-4-[2-(trifluoromethyl)phenyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16F3N3O3
InChI InChI=1S/C21H16F3N3O3/c22-21(23,24)16-4-2-1-3-13(16)14-8-19(28)26-20-15(14)9-25-27(20)10-12-5-6-17-18(7-12)30-11-29-17/h1-7,9,14H,8,10-11H2,(H,26,28)
InChIKey FVROXGDVQBPKLO-UHFFFAOYSA-N
Molecular Weight 415.372 g/mol
SMILES N1c2c(C(CC1=O)c1ccccc1C(F)(F)F)cn[n]2Cc1ccc2OCOc2c1
SPLASH splash10-000i-2900100000-f68936b5a60ce67aa1a4
Source of Spectrum IY-2-5031-5
Wiley ID 1658298