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5-fluoro PB-22 6-hydroxyisoquinoline isomer
SpectraBase Compound ID L7NAMAGCWMA
InChI InChI=1S/C23H21FN2O2/c24-11-4-1-5-13-26-16-21(20-6-2-3-7-22(20)26)23(27)28-19-9-8-18-15-25-12-10-17(18)14-19/h2-3,6-10,12,14-16H,1,4-5,11,13H2
InChIKey MNQAKSFPQIRIJA-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 1UD1aujLCvf
Name 5-Fluoro-PB-22 6-hydroxyisoquinoline isomer
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Formula C23H21FN2O2
InChI InChI=1S/C23H21FN2O2/c24-11-4-1-5-13-26-16-21(20-6-2-3-7-22(20)26)23(27)28-19-9-8-18-15-25-12-10-17(18)14-19/h2-3,6-10,12,14-16H,1,4-5,11,13H2
InChIKey MNQAKSFPQIRIJA-UHFFFAOYSA-N
Molecular Weight 376.431 g/mol
SMILES c1(ccc2c(c1)ccnc2)OC(c1c[n](c2c1cccc2)CCCCCF)=O
SPLASH splash10-001i-1490000000-926f5af34a98a97232e8
Source of Spectrum SWG-33-4122-0
Synonyms Isoquinolin-6-yl-1-(5-fluoropentyl)-1H-indole-3-carboxylate 5F-PB-22 6-hydroxyisoquinoline isomer isoquinolin-6-yl 1-(5-fluoropentyl)-1H-indole-3-carboxylate
Wiley ID 1810769