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Isonipecotic acid, N-(2,4-difluorobenzoyl)-, nonyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2,4-difluorobenzoyl)-, nonyl ester
SpectraBase Compound ID D36WHlgpbzZ
InChI InChI=1S/C22H31F2NO3/c1-2-3-4-5-6-7-8-15-28-22(27)17-11-13-25(14-12-17)21(26)19-10-9-18(23)16-20(19)24/h9-10,16-17H,2-8,11-15H2,1H3
InChIKey RDVSXPAEPAAASE-UHFFFAOYSA-N
Mol Weight 395.49 g/mol
Molecular Formula C22H31F2NO3
Exact Mass 395.2272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iw3aI13yzsn
Name Isonipecotic acid, N-(2,4-difluorobenzoyl)-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 395.227200185 u
Formula C22H31F2NO3
InChI InChI=1S/C22H31F2NO3/c1-2-3-4-5-6-7-8-15-28-22(27)17-11-13-25(14-12-17)21(26)19-10-9-18(23)16-20(19)24/h9-10,16-17H,2-8,11-15H2,1H3
InChIKey RDVSXPAEPAAASE-UHFFFAOYSA-N
Molecular Weight 395.491 g/mol
SMILES CCCCCCCCCOC(C1CCN(C(C2=C(C=C(F)C=C2)F)=O)CC1)=O