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5-fluoro PB-22 8-hydroxyisoquinoline isomer

View entire compound with spectra: 2 FTIR, and 2 MS (GC)

5-fluoro PB-22 8-hydroxyisoquinoline isomer
SpectraBase Compound ID Cki4ahqk3ZI
InChI InChI=1S/C23H21FN2O2/c24-12-4-1-5-14-26-16-20(18-8-2-3-9-21(18)26)23(27)28-22-10-6-7-17-11-13-25-15-19(17)22/h2-3,6-11,13,15-16H,1,4-5,12,14H2
InChIKey FHGAUDJAEICVMC-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 2MKP7SJbVLl
Name 5-Fluoro-PB-22 8-hydroxyisoquinoline isomer
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Formula C23H21FN2O2
InChI InChI=1S/C23H21FN2O2/c24-12-4-1-5-14-26-16-20(18-8-2-3-9-21(18)26)23(27)28-22-10-6-7-17-11-13-25-15-19(17)22/h2-3,6-11,13,15-16H,1,4-5,12,14H2
InChIKey FHGAUDJAEICVMC-UHFFFAOYSA-N
Molecular Weight 376.431 g/mol
SMILES c1(c2c(ccc1)ccnc2)OC(c1c[n](c2c1cccc2)CCCCCF)=O
SPLASH splash10-001i-1490000000-7ecf8b2877c62e9c8e9e
Source of Spectrum SWG-33-4120-0
Synonyms Isoquinolin-8-yl-1-(5-fluoropentyl)-1H-indole-3-carboxylate 5F-PB-22 8-hydroxyisoquinoline isomer isoquinolin-8-yl 1-(5-fluoropentyl)-1H-indole-3-carboxylate
Wiley ID 1810767