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Isonipecotic acid, N-(2,5-difluorobenzoyl)-, pentadecyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(2,5-difluorobenzoyl)-, pentadecyl ester
SpectraBase Compound ID 88i5MaMUcZp
InChI InChI=1S/C28H43F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-34-28(33)23-17-19-31(20-18-23)27(32)25-22-24(29)15-16-26(25)30/h15-16,22-23H,2-14,17-21H2,1H3
InChIKey IWLLGYKSRCASBZ-UHFFFAOYSA-N
Mol Weight 479.7 g/mol
Molecular Formula C28H43F2NO3
Exact Mass 479.321101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IrBtcPw4kwv
Name Isonipecotic acid, N-(2,5-difluorobenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 479.321100572 u
Formula C28H43F2NO3
InChI InChI=1S/C28H43F2NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-34-28(33)23-17-19-31(20-18-23)27(32)25-22-24(29)15-16-26(25)30/h15-16,22-23H,2-14,17-21H2,1H3
InChIKey IWLLGYKSRCASBZ-UHFFFAOYSA-N
Molecular Weight 479.653 g/mol
SMILES CCCCCCCCCCCCCCCOC(C1CCN(C(C2=C(C=CC(=C2)F)F)=O)CC1)=O