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5-Fluoro-PB-22 N-(4-fluoropentyl) isomer

View entire compound with spectra: 2 MS (GC)

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 8ib76Y2C2q2
Name 5-Fluoro-PB-22 N-(4-fluoropentyl) isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 c1(c2c(ccc1)cccn2)OC(c1c[n](c2c1cccc2)CCCC(C)F)=O
SPLASH splash10-001i-2590000000-5b1944f7159ed815284a
Source of Spectrum SWG-33-3460-0
Synonyms Quinolin-8-yl-1-(4-fluoropentyl)-1H-indole-3-carboxylate 5F-PB-22 N-(4-fluoropentyl) isomer quinolin-8-yl 1-(4-fluoropentyl)-1H-indole-3-carboxylate
Wiley ID 1810276