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Isonipecotic acid, N-(3,4-difluorobenzoyl)-, pentyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(3,4-difluorobenzoyl)-, pentyl ester
SpectraBase Compound ID FPqn32nSHhQ
InChI InChI=1S/C18H23F2NO3/c1-2-3-4-11-24-18(23)13-7-9-21(10-8-13)17(22)14-5-6-15(19)16(20)12-14/h5-6,12-13H,2-4,7-11H2,1H3
InChIKey ZKIKHGHICLGPRZ-UHFFFAOYSA-N
Mol Weight 339.38 g/mol
Molecular Formula C18H23F2NO3
Exact Mass 339.1646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LDekQe2Mv4G
Name Isonipecotic acid, N-(3,4-difluorobenzoyl)-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 339.164599928 u
Formula C18H23F2NO3
InChI InChI=1S/C18H23F2NO3/c1-2-3-4-11-24-18(23)13-7-9-21(10-8-13)17(22)14-5-6-15(19)16(20)12-14/h5-6,12-13H,2-4,7-11H2,1H3
InChIKey ZKIKHGHICLGPRZ-UHFFFAOYSA-N
Molecular Weight 339.383 g/mol
SMILES CCCCCOC(C1CCN(C(=O)C2=CC=C(C(=C2)F)F)CC1)=O