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Mam2201 N-(3-fluoropentyl) isomer

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Mam2201 N-(3-fluoropentyl) isomer
SpectraBase Compound ID LkIRxchyvcm
InChI InChI=1S/C25H24FNO/c1-3-18(26)14-15-27-16-23(21-10-6-7-11-24(21)27)25(28)22-13-12-17(2)19-8-4-5-9-20(19)22/h4-13,16,18H,3,14-15H2,1-2H3
InChIKey KEFSMRMUICTKBX-UHFFFAOYSA-N
Mol Weight 373.47 g/mol
Molecular Formula C25H24FNO
Exact Mass 373.184193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FwC6NILm4eD
Name Mam2201 N-(3-fluoropentyl) isomer
Comments Computed using HOSE algorithm
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Exact Mass 373.184192559 u
Formula C25H24FNO
InChI InChI=1S/C25H24FNO/c1-3-18(26)14-15-27-16-23(21-10-6-7-11-24(21)27)25(28)22-13-12-17(2)19-8-4-5-9-20(19)22/h4-13,16,18H,3,14-15H2,1-2H3
InChIKey KEFSMRMUICTKBX-UHFFFAOYSA-N
Molecular Weight 373.471 g/mol
SMILES C12=CC=CC=C2N(C=C1C(C1=CC=C(C2=C1C=CC=C2)C)=O)CCC(CC)F