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4-(Perfluoropropyl)-2-phenyl-6-(pyridin-2-yl)-1H-pyrazolo-[3,4-b]pyridin-3(2H)-one
SpectraBase Compound ID 4UJjNOrwtZr
InChI InChI=1S/C20H11F7N4O/c21-18(22,19(23,24)20(25,26)27)12-10-14(13-8-4-5-9-28-13)29-16-15(12)17(32)31(30-16)11-6-2-1-3-7-11/h1-10H,(H,29,30)
InChIKey NPOQREGGTUNUEY-UHFFFAOYSA-N
Mol Weight 456.32 g/mol
Molecular Formula C20H11F7N4O
Exact Mass 456.082108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIWnqSywrW7
Name 4-(Perfluoropropyl)-2-phenyl-6-(pyridin-2-yl)-1H-pyrazolo-[3,4-b]pyridin-3(2H)-one
Appearance Dark red crystals
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Exact Mass 456.082108130 u
Formula C20H11F7N4O
InChI InChI=1S/C20H11F7N4O/c21-18(22,19(23,24)20(25,26)27)12-10-14(13-8-4-5-9-28-13)29-16-15(12)17(32)31(30-16)11-6-2-1-3-7-11/h1-10H,(H,29,30)
InChIKey NPOQREGGTUNUEY-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800163
Molecular Weight 456.324 g/mol
Quality 169
Reported Formula C20H11F7N4O
SMILES N1C2=NC(=CC(=C2C(N1C1=CC=CC=C1)=O)C(C(C(F)(F)F)(F)F)(F)F)C1=NC=CC=C1
SPLASH splash10-0a4i-3002900000-1c1d9398ca42cac93fc6
Source of Spectrum K1-2018-2640-2q (DOI: 10.1002/ejoc.201800163)
Wiley ID 1891666