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5-fluoro PB-22 5-hydroxyisoquinoline isomer

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

5-fluoro PB-22 5-hydroxyisoquinoline isomer
SpectraBase Compound ID JGvAO4l3Kfx
InChI InChI=1S/C23H21FN2O2/c24-12-4-1-5-14-26-16-20(19-8-2-3-9-21(19)26)23(27)28-22-10-6-7-17-15-25-13-11-18(17)22/h2-3,6-11,13,15-16H,1,4-5,12,14H2
InChIKey VDXHSBSNZLWZEP-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 LThIVGI8Eb5
Name 5-fluoro PB-22 5-hydroxyisoquinoline isomer
Catalog Number 14550
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21FN2O2
InChI InChI=1S/C23H21FN2O2/c24-12-4-1-5-14-26-16-20(19-8-2-3-9-21(19)26)23(27)28-22-10-6-7-17-15-25-13-11-18(17)22/h2-3,6-11,13,15-16H,1,4-5,12,14H2
InChIKey VDXHSBSNZLWZEP-UHFFFAOYSA-N
Molecular Weight 376.431 g/mol
SMILES c12c(c[n](c2cccc1)CCCCCF)C(=O)Oc1c2c(ccc1)cncc2
SPLASH splash10-001i-1490000000-a84e3ba70f6dd7312855
Source of Spectrum CAY-2023-1436-0
Wiley ID 1889373