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Isonipecotinoylisonipecotic acid, N'-pentafluorobenzoyl-, pentyl ester

View entire compound with spectra: 1 NMR

Isonipecotinoylisonipecotic acid, N'-pentafluorobenzoyl-, pentyl ester
SpectraBase Compound ID 1cckBUFdpPT
InChI InChI=1S/C24H29F5N2O4/c1-2-3-4-13-35-24(34)15-7-11-30(12-8-15)22(32)14-5-9-31(10-6-14)23(33)16-17(25)19(27)21(29)20(28)18(16)26/h14-15H,2-13H2,1H3
InChIKey JCJWDZUHFOIROC-UHFFFAOYSA-N
Mol Weight 504.5 g/mol
Molecular Formula C24H29F5N2O4
Exact Mass 504.204748 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IbW1XZ023gM
Name Isonipecotinoylisonipecotic acid, N'-pentafluorobenzoyl-, pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 504.204748233 u
Formula C24H29F5N2O4
InChI InChI=1S/C24H29F5N2O4/c1-2-3-4-13-35-24(34)15-7-11-30(12-8-15)22(32)14-5-9-31(10-6-14)23(33)16-17(25)19(27)21(29)20(28)18(16)26/h14-15H,2-13H2,1H3
InChIKey JCJWDZUHFOIROC-UHFFFAOYSA-N
Molecular Weight 504.498 g/mol
SMILES CCCCCOC(C1CCN(CC1)C(C1CCN(C(C2=C(C(=C(F)C(=C2F)F)F)F)=O)CC1)=O)=O