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5-fluoro PB-22 7-hydroxyisoquinoline isomer

View entire compound with spectra: 3 FTIR, 1 Raman, and 2 MS (GC)

5-fluoro PB-22 7-hydroxyisoquinoline isomer
SpectraBase Compound ID F5Dv8qQrZtN
InChI InChI=1S/C23H21FN2O2/c24-11-4-1-5-13-26-16-21(20-6-2-3-7-22(20)26)23(27)28-19-9-8-17-10-12-25-15-18(17)14-19/h2-3,6-10,12,14-16H,1,4-5,11,13H2
InChIKey NZHJAVLYBQIOHT-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 AEsK2ro6QEV
Name 5-fluoro PB-22 7-hydroxyisoquinoline isomer
Catalog Number 14552
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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)28-19-9-8-17-10-12-25-15-18(17)14-19/h2-3,6-10,12,14-16H,1,4-5,11,13H2
InChIKey NZHJAVLYBQIOHT-UHFFFAOYSA-N
Molecular Weight 376.431 g/mol
SMILES c12c(c[n](c2cccc1)CCCCCF)C(=O)Oc1ccc2c(c1)cncc2
SPLASH splash10-001i-1490000000-d9808bd4d39766aed5f5
Source of Spectrum CAY-2023-1434-0
Wiley ID 1889371