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Isonipecotic acid, N-(4-fluorobenzoyl)-, undecyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(4-fluorobenzoyl)-, undecyl ester
SpectraBase Compound ID IjLrJFh0hC6
InChI InChI=1S/C24H36FNO3/c1-2-3-4-5-6-7-8-9-10-19-29-24(28)21-15-17-26(18-16-21)23(27)20-11-13-22(25)14-12-20/h11-14,21H,2-10,15-19H2,1H3
InChIKey DSLCCLILGIQBDA-UHFFFAOYSA-N
Mol Weight 405.6 g/mol
Molecular Formula C24H36FNO3
Exact Mass 405.267922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CXwwiBNh2Re
Name Isonipecotic acid, N-(4-fluorobenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 405.267922183 u
Formula C24H36FNO3
InChI InChI=1S/C24H36FNO3/c1-2-3-4-5-6-7-8-9-10-19-29-24(28)21-15-17-26(18-16-21)23(27)20-11-13-22(25)14-12-20/h11-14,21H,2-10,15-19H2,1H3
InChIKey DSLCCLILGIQBDA-UHFFFAOYSA-N
Molecular Weight 405.554 g/mol
SMILES CCCCCCCCCCCOC(C1CCN(C(=O)C2=CC=C(C=C2)F)CC1)=O