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Isonipecotic acid, N-pentafluorobenzoyl-, dodecyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-pentafluorobenzoyl-, dodecyl ester
SpectraBase Compound ID ItqBgMFnUgv
InChI InChI=1S/C25H34F5NO3/c1-2-3-4-5-6-7-8-9-10-11-16-34-25(33)17-12-14-31(15-13-17)24(32)18-19(26)21(28)23(30)22(29)20(18)27/h17H,2-16H2,1H3
InChIKey UFKRSWGNAYDFGC-UHFFFAOYSA-N
Mol Weight 491.5 g/mol
Molecular Formula C25H34F5NO3
Exact Mass 491.245885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3xSto0PYfce
Name Isonipecotic acid, N-pentafluorobenzoyl-, dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 491.245884771 u
Formula C25H34F5NO3
InChI InChI=1S/C25H34F5NO3/c1-2-3-4-5-6-7-8-9-10-11-16-34-25(33)17-12-14-31(15-13-17)24(32)18-19(26)21(28)23(30)22(29)20(18)27/h17H,2-16H2,1H3
InChIKey UFKRSWGNAYDFGC-UHFFFAOYSA-N
Molecular Weight 491.543 g/mol
SMILES CCCCCCCCCCCCOC(C1CCN(C(C2=C(C(=C(F)C(=C2F)F)F)F)=O)CC1)=O