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Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, dodecyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, dodecyl ester
SpectraBase Compound ID 5OjYanaR7e2
InChI InChI=1S/C26H37F4NO3/c1-2-3-4-5-6-7-8-9-10-11-18-34-25(33)20-14-16-31(17-15-20)24(32)22-19-21(26(28,29)30)12-13-23(22)27/h12-13,19-20H,2-11,14-18H2,1H3
InChIKey FTOXHOGCBJNYBX-UHFFFAOYSA-N
Mol Weight 487.6 g/mol
Molecular Formula C26H37F4NO3
Exact Mass 487.270957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7xetXq9tVZF
Name Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 487.270956704 u
Formula C26H37F4NO3
InChI InChI=1S/C26H37F4NO3/c1-2-3-4-5-6-7-8-9-10-11-18-34-25(33)20-14-16-31(17-15-20)24(32)22-19-21(26(28,29)30)12-13-23(22)27/h12-13,19-20H,2-11,14-18H2,1H3
InChIKey FTOXHOGCBJNYBX-UHFFFAOYSA-N
Molecular Weight 487.580 g/mol
SMILES CCCCCCCCCCCCOC(C1CCN(C(C2=CC(C(F)(F)F)=CC=C2F)=O)CC1)=O