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Isonipecotic acid, N-pentafluorobenzoyl-, nonyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-pentafluorobenzoyl-, nonyl ester
SpectraBase Compound ID Ky8nJV5mxdU
InChI InChI=1S/C22H28F5NO3/c1-2-3-4-5-6-7-8-13-31-22(30)14-9-11-28(12-10-14)21(29)15-16(23)18(25)20(27)19(26)17(15)24/h14H,2-13H2,1H3
InChIKey NBZGJVPTQQGSEZ-UHFFFAOYSA-N
Mol Weight 449.46 g/mol
Molecular Formula C22H28F5NO3
Exact Mass 449.198935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3wy7WrtIIQG
Name Isonipecotic acid, N-pentafluorobenzoyl-, nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.198934578 u
Formula C22H28F5NO3
InChI InChI=1S/C22H28F5NO3/c1-2-3-4-5-6-7-8-13-31-22(30)14-9-11-28(12-10-14)21(29)15-16(23)18(25)20(27)19(26)17(15)24/h14H,2-13H2,1H3
InChIKey NBZGJVPTQQGSEZ-UHFFFAOYSA-N
Molecular Weight 449.462 g/mol
SMILES CCCCCCCCCOC(C1CCN(C(C2=C(C(=C(F)C(=C2F)F)F)F)=O)CC1)=O