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5-fluoro PB-22 3-hydroxyquinoline isomer
SpectraBase Compound ID DzcHukFoABh
InChI InChI=1S/C23H21FN2O2/c24-12-6-1-7-13-26-16-20(19-9-3-5-11-22(19)26)23(27)28-18-14-17-8-2-4-10-21(17)25-15-18/h2-5,8-11,14-16H,1,6-7,12-13H2
InChIKey XUWUBKLJGGHABS-UHFFFAOYSA-N
Mol Weight 376.43 g/mol
Molecular Formula C23H21FN2O2
Exact Mass 376.158706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L0OItyWIhNU
Name 5-Fluoro-PB-22 3-hydroxyquinoline isomer
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Formula C23H21FN2O2
InChI InChI=1S/C23H21FN2O2/c24-12-6-1-7-13-26-16-20(19-9-3-5-11-22(19)26)23(27)28-18-14-17-8-2-4-10-21(17)25-15-18/h2-5,8-11,14-16H,1,6-7,12-13H2
InChIKey XUWUBKLJGGHABS-UHFFFAOYSA-N
Molecular Weight 376.431 g/mol
SMILES c1(cnc2c(c1)cccc2)OC(c1c[n](c2c1cccc2)CCCCCF)=O
SPLASH splash10-001i-1490000000-e32d4eea4bf0f92f9e99
Source of Spectrum SWG-33-4119-0
Synonyms Quinolin-3-yl-1-(5-fluoropentyl)-1H-indole-3-carboxylate 5F-PB-22 3-hydroxyquinoline isomer quinolin-3-yl 1-(5-fluoropentyl)-1H-indole-3-carboxylate
Wiley ID 1810766