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Isonipecotic acid, N-(2-fluoro-3-trifluoromethylbenzoyl)-, undecyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2-fluoro-3-trifluoromethylbenzoyl)-, undecyl ester
SpectraBase Compound ID 2Pg6n5unpgJ
InChI InChI=1S/C25H35F4NO3/c1-2-3-4-5-6-7-8-9-10-18-33-24(32)19-14-16-30(17-15-19)23(31)20-12-11-13-21(22(20)26)25(27,28)29/h11-13,19H,2-10,14-18H2,1H3
InChIKey IPEBTPRZIVKECN-UHFFFAOYSA-N
Mol Weight 473.6 g/mol
Molecular Formula C25H35F4NO3
Exact Mass 473.255307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7iIE8NkCsvA
Name Isonipecotic acid, N-(2-fluoro-3-trifluoromethylbenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 473.255306640 u
Formula C25H35F4NO3
InChI InChI=1S/C25H35F4NO3/c1-2-3-4-5-6-7-8-9-10-18-33-24(32)19-14-16-30(17-15-19)23(31)20-12-11-13-21(22(20)26)25(27,28)29/h11-13,19H,2-10,14-18H2,1H3
InChIKey IPEBTPRZIVKECN-UHFFFAOYSA-N
Molecular Weight 473.553 g/mol
SMILES CCCCCCCCCCCOC(C1CCN(C(C2=C(C(C(F)(F)F)=CC=C2)F)=O)CC1)=O