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

View entire compound with spectra: 1 NMR

Isonipecotic acid, N-(3-trifluoromethylbenzoyl)-, dodecyl ester
SpectraBase Compound ID F2lVfWRgEqO
InChI InChI=1S/C26H38F3NO3/c1-2-3-4-5-6-7-8-9-10-11-19-33-25(32)21-15-17-30(18-16-21)24(31)22-13-12-14-23(20-22)26(27,28)29/h12-14,20-21H,2-11,15-19H2,1H3
InChIKey FSKLHMAJKXEPFK-UHFFFAOYSA-N
Mol Weight 469.6 g/mol
Molecular Formula C26H38F3NO3
Exact Mass 469.280379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DYfvTLJE3my
Name Isonipecotic acid, N-(3-trifluoromethylbenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 469.280378574 u
Formula C26H38F3NO3
InChI InChI=1S/C26H38F3NO3/c1-2-3-4-5-6-7-8-9-10-11-19-33-25(32)21-15-17-30(18-16-21)24(31)22-13-12-14-23(20-22)26(27,28)29/h12-14,20-21H,2-11,15-19H2,1H3
InChIKey FSKLHMAJKXEPFK-UHFFFAOYSA-N
Molecular Weight 469.589 g/mol
SMILES CCCCCCCCCCCCOC(C1CCN(C(C2=CC(C(F)(F)F)=CC=C2)=O)CC1)=O