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Isonipecotic acid, N-(3-trifluoromethylbenzoyl)-, decyl ester

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(3-trifluoromethylbenzoyl)-, decyl ester
SpectraBase Compound ID 18nSnMd2LqA
InChI InChI=1S/C24H34F3NO3/c1-2-3-4-5-6-7-8-9-17-31-23(30)19-13-15-28(16-14-19)22(29)20-11-10-12-21(18-20)24(25,26)27/h10-12,18-19H,2-9,13-17H2,1H3
InChIKey ZEOWJAFYJHCRMZ-UHFFFAOYSA-N
Mol Weight 441.5 g/mol
Molecular Formula C24H34F3NO3
Exact Mass 441.249078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3WB6PY6ly80
Name Isonipecotic acid, N-(3-trifluoromethylbenzoyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 441.249078445 u
Formula C24H34F3NO3
InChI InChI=1S/C24H34F3NO3/c1-2-3-4-5-6-7-8-9-17-31-23(30)19-13-15-28(16-14-19)22(29)20-11-10-12-21(18-20)24(25,26)27/h10-12,18-19H,2-9,13-17H2,1H3
InChIKey ZEOWJAFYJHCRMZ-UHFFFAOYSA-N
Molecular Weight 441.535 g/mol
SMILES CCCCCCCCCCOC(C1CCN(C(C2=CC(C(F)(F)F)=CC=C2)=O)CC1)=O