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5-fluoro PB-22 6-hydroxyquinoline isomer
SpectraBase Compound ID HKO1XLSzEP1
InChI InChI=1S/C23H21FN2O2/c24-12-4-1-5-14-26-16-20(19-8-2-3-9-22(19)26)23(27)28-18-10-11-21-17(15-18)7-6-13-25-21/h2-3,6-11,13,15-16H,1,4-5,12,14H2
InChIKey OGDLFTUKGSPKPV-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 B0pN8U5EpX2
Name 5-Fluoro-PB-22 6-hydroxyquinoline isomer
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Formula C23H21FN2O2
InChI InChI=1S/C23H21FN2O2/c24-12-4-1-5-14-26-16-20(19-8-2-3-9-22(19)26)23(27)28-18-10-11-21-17(15-18)7-6-13-25-21/h2-3,6-11,13,15-16H,1,4-5,12,14H2
InChIKey OGDLFTUKGSPKPV-UHFFFAOYSA-N
Molecular Weight 376.431 g/mol
SMILES c1(ccc2c(c1)cccn2)OC(c1c[n](c2c1cccc2)CCCCCF)=O
SPLASH splash10-001i-1490000000-ff32971827c9a8ccde57
Source of Spectrum SWG-33-4116-0
Synonyms Quinolin-6-yl-1-(5-fluoropentyl)-1H-indole-3-carboxylate 5F-PB-22 6-hydroxyquinoline isomer quinolin-6-yl 1-(5-fluoropentyl)-1H-indole-3-carboxylate
Wiley ID 1810763