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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(3,4-difluorobenzoyl)-, decyl ester
SpectraBase Compound ID 94Fr1JwMmOE
InChI InChI=1S/C23H33F2NO3/c1-2-3-4-5-6-7-8-9-16-29-23(28)18-12-14-26(15-13-18)22(27)19-10-11-20(24)21(25)17-19/h10-11,17-18H,2-9,12-16H2,1H3
InChIKey RBPVGULBXMWDJN-UHFFFAOYSA-N
Mol Weight 409.5 g/mol
Molecular Formula C23H33F2NO3
Exact Mass 409.24285 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JN5YCawQvYV
Name Isonipecotic acid, N-(3,4-difluorobenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 409.242850250 u
Formula C23H33F2NO3
InChI InChI=1S/C23H33F2NO3/c1-2-3-4-5-6-7-8-9-16-29-23(28)18-12-14-26(15-13-18)22(27)19-10-11-20(24)21(25)17-19/h10-11,17-18H,2-9,12-16H2,1H3
InChIKey RBPVGULBXMWDJN-UHFFFAOYSA-N
Molecular Weight 409.518 g/mol
SMILES CCCCCCCCCCOC(C1CCN(C(=O)C2=CC=C(C(=C2)F)F)CC1)=O