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Isonipecotic acid, N-(3,4-difluorobenzoyl)-, tetradecyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(3,4-difluorobenzoyl)-, tetradecyl ester
SpectraBase Compound ID 4DPO2gvWabe
InChI InChI=1S/C27H41F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-33-27(32)22-16-18-30(19-17-22)26(31)23-14-15-24(28)25(29)21-23/h14-15,21-22H,2-13,16-20H2,1H3
InChIKey MNGLWQVVPMVREU-UHFFFAOYSA-N
Mol Weight 465.6 g/mol
Molecular Formula C27H41F2NO3
Exact Mass 465.305451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L5WcHQODRUI
Name Isonipecotic acid, N-(3,4-difluorobenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 465.305450507 u
Formula C27H41F2NO3
InChI InChI=1S/C27H41F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-33-27(32)22-16-18-30(19-17-22)26(31)23-14-15-24(28)25(29)21-23/h14-15,21-22H,2-13,16-20H2,1H3
InChIKey MNGLWQVVPMVREU-UHFFFAOYSA-N
Molecular Weight 465.626 g/mol
SMILES CCCCCCCCCCCCCCOC(C1CCN(C(=O)C2=CC=C(C(=C2)F)F)CC1)=O