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Trans-cinnamamide, 3-trifluoromethyl-N-benzyl-N-undecyl-
SpectraBase Compound ID 3v64kZtlYQk
InChI InChI=1S/C28H36F3NO/c1-2-3-4-5-6-7-8-9-13-21-32(23-25-15-11-10-12-16-25)27(33)20-19-24-17-14-18-26(22-24)28(29,30)31/h10-12,14-20,22H,2-9,13,21,23H2,1H3/b20-19+
InChIKey GCXBYDCADSSLPY-FMQUCBEESA-N
Mol Weight 459.6 g/mol
Molecular Formula C28H36F3NO
Exact Mass 459.274899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ea2EhrALcUo
Name Trans-cinnamamide, 3-trifluoromethyl-N-benzyl-N-undecyl-
Comments Computed using HOSE algorithm
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Exact Mass 459.274899271 u
Formula C28H36F3NO
InChI InChI=1S/C28H36F3NO/c1-2-3-4-5-6-7-8-9-13-21-32(23-25-15-11-10-12-16-25)27(33)20-19-24-17-14-18-26(22-24)28(29,30)31/h10-12,14-20,22H,2-9,13,21,23H2,1H3/b20-19+
InChIKey GCXBYDCADSSLPY-FMQUCBEESA-N
Molecular Weight 459.597 g/mol
SMILES C(N(CCCCCCCCCCC)CC1=CC=CC=C1)(=O)\C=C\C1=CC=CC(=C1)C(F)(F)F