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5-fluoro PB-22 5-hydroxyquinoline isomer
SpectraBase Compound ID 5flV2nq0zRb
InChI InChI=1S/C23H21FN2O2/c24-13-4-1-5-15-26-16-19(17-8-2-3-11-21(17)26)23(27)28-22-12-6-10-20-18(22)9-7-14-25-20/h2-3,6-12,14,16H,1,4-5,13,15H2
InChIKey DBBSWUCEVLGAQH-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 LYMUu3DT05Z
Name 5-fluoro PB-22 5-hydroxyquinoline isomer
Catalog Number 14513
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Formula C23H21FN2O2
InChI InChI=1S/C23H21FN2O2/c24-13-4-1-5-15-26-16-19(17-8-2-3-11-21(17)26)23(27)28-22-12-6-10-20-18(22)9-7-14-25-20/h2-3,6-12,14,16H,1,4-5,13,15H2
InChIKey DBBSWUCEVLGAQH-UHFFFAOYSA-N
Molecular Weight 376.431 g/mol
SMILES C(c1c[n](c2c1cccc2)CCCCCF)(=O)Oc1c2c(ccc1)nccc2
SPLASH splash10-001i-1490000000-139e6f76813802ec0795
Source of Spectrum CAY-2023-1440-0
Wiley ID 1889377