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5-Fluoro-PB-22 N-(4-fluoropentyl) isomer
SpectraBase Compound ID uwn0wALE0
InChI InChI=1S/C23H21FN2O2/c1-16(24)7-6-14-26-15-19(18-10-2-3-11-20(18)26)23(27)28-21-12-4-8-17-9-5-13-25-22(17)21/h2-5,8-13,15-16H,6-7,14H2,1H3
InChIKey OMYXQSSFQLPJBR-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 7sPhEYChrsE
Name 5-fluoro PB-22 N-(4-fluoropentyl) isomer
Catalog Number 14548
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Formula C23H21FN2O2
InChI InChI=1S/C23H21FN2O2/c1-16(24)7-6-14-26-15-19(18-10-2-3-11-20(18)26)23(27)28-21-12-4-8-17-9-5-13-25-22(17)21/h2-5,8-13,15-16H,6-7,14H2,1H3
InChIKey OMYXQSSFQLPJBR-UHFFFAOYSA-N
Molecular Weight 376.431 g/mol
SMILES c12c(c[n](c2cccc1)CCCC(C)F)C(=O)Oc1c2c(ccc1)cccn2
SPLASH splash10-001i-2590000000-f671cc84665156656a4a
Source of Spectrum CAY-2023-1605-0
Wiley ID 1889542