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Isonipecotic acid, N-pentafluorobenzoyl-, undecyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-pentafluorobenzoyl-, undecyl ester
SpectraBase Compound ID C53gaBBiAzP
InChI InChI=1S/C24H32F5NO3/c1-2-3-4-5-6-7-8-9-10-15-33-24(32)16-11-13-30(14-12-16)23(31)17-18(25)20(27)22(29)21(28)19(17)26/h16H,2-15H2,1H3
InChIKey FRXUAROKIUFIDY-UHFFFAOYSA-N
Mol Weight 477.5 g/mol
Molecular Formula C24H32F5NO3
Exact Mass 477.230235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID hywIWr0m9N
Name Isonipecotic acid, N-pentafluorobenzoyl-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 477.230234706 u
Formula C24H32F5NO3
InChI InChI=1S/C24H32F5NO3/c1-2-3-4-5-6-7-8-9-10-15-33-24(32)16-11-13-30(14-12-16)23(31)17-18(25)20(27)22(29)21(28)19(17)26/h16H,2-15H2,1H3
InChIKey FRXUAROKIUFIDY-UHFFFAOYSA-N
Molecular Weight 477.516 g/mol
SMILES CCCCCCCCCCCOC(C1CCN(C(C2=C(C(=C(F)C(=C2F)F)F)F)=O)CC1)=O