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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2,4-difluorobenzoyl)-, undecyl ester
SpectraBase Compound ID Gjoaq1ar0dV
InChI InChI=1S/C24H35F2NO3/c1-2-3-4-5-6-7-8-9-10-17-30-24(29)19-13-15-27(16-14-19)23(28)21-12-11-20(25)18-22(21)26/h11-12,18-19H,2-10,13-17H2,1H3
InChIKey OGKJXWYYKANJIJ-UHFFFAOYSA-N
Mol Weight 423.5 g/mol
Molecular Formula C24H35F2NO3
Exact Mass 423.2585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ka2jJj6M4ce
Name Isonipecotic acid, N-(2,4-difluorobenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 423.258500314 u
Formula C24H35F2NO3
InChI InChI=1S/C24H35F2NO3/c1-2-3-4-5-6-7-8-9-10-17-30-24(29)19-13-15-27(16-14-19)23(28)21-12-11-20(25)18-22(21)26/h11-12,18-19H,2-10,13-17H2,1H3
InChIKey OGKJXWYYKANJIJ-UHFFFAOYSA-N
Molecular Weight 423.545 g/mol
SMILES CCCCCCCCCCCOC(C1CCN(C(C2=C(C=C(F)C=C2)F)=O)CC1)=O