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

View entire compound with spectra: 1 NMR, and 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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BaXMxlTb1lV
Name 5-Fluoro pb-22 N-(4-fluoropentyl) isomer
Comments Computed using HOSE algorithm
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Exact Mass 376.158706085 u
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 C(OC1=C2C(=CC=C1)C=CC=N2)(=O)C=1C2=C(C=CC=C2)N(C1)CCCC(F)C