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5-fluoro PB-22 4-hydroxyisoquinoline isomer

View entire compound with spectra: 2 FTIR, and 1 MS (GC)

5-fluoro PB-22 4-hydroxyisoquinoline isomer
SpectraBase Compound ID 2mD3HHU2DC2
InChI InChI=1S/C23H21FN2O2/c24-12-6-1-7-13-26-16-20(19-10-4-5-11-21(19)26)23(27)28-22-15-25-14-17-8-2-3-9-18(17)22/h2-5,8-11,14-16H,1,6-7,12-13H2
InChIKey XKNJEXJJFATFLE-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 Cv1dvs0gnAw
Name 5-fluoro PB-22 4-hydroxyisoquinoline isomer
Catalog Number 14549
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21FN2O2
InChI InChI=1S/C23H21FN2O2/c24-12-6-1-7-13-26-16-20(19-10-4-5-11-21(19)26)23(27)28-22-15-25-14-17-8-2-3-9-18(17)22/h2-5,8-11,14-16H,1,6-7,12-13H2
InChIKey XKNJEXJJFATFLE-UHFFFAOYSA-N
Molecular Weight 376.431 g/mol
SMILES c12c(c[n](c2cccc1)CCCCCF)C(=O)Oc1c2c(cnc1)cccc2
SPLASH splash10-0006-2590000000-30d293880d9d28f77fa7
Source of Spectrum CAY-2023-1437-0
Wiley ID 1889374