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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(3,4-difluorobenzoyl)-, undecyl ester
SpectraBase Compound ID 8TI6ItKylp5
InChI InChI=1S/C24H35F2NO3/c1-2-3-4-5-6-7-8-9-10-17-30-24(29)19-13-15-27(16-14-19)23(28)20-11-12-21(25)22(26)18-20/h11-12,18-19H,2-10,13-17H2,1H3
InChIKey RKZKPZLZXRKZTR-UHFFFAOYSA-N
Mol Weight 423.5 g/mol
Molecular Formula C24H35F2NO3
Exact Mass 423.2585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AG6K41wYtdS
Name Isonipecotic acid, N-(3,4-difluorobenzoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 423.258500314 u
Formula C24H35F2NO3
InChI InChI=1S/C24H35F2NO3/c1-2-3-4-5-6-7-8-9-10-17-30-24(29)19-13-15-27(16-14-19)23(28)20-11-12-21(25)22(26)18-20/h11-12,18-19H,2-10,13-17H2,1H3
InChIKey RKZKPZLZXRKZTR-UHFFFAOYSA-N
Molecular Weight 423.545 g/mol
SMILES CCCCCCCCCCCOC(C1CCN(C(=O)C2=CC=C(C(=C2)F)F)CC1)=O