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Trans-cinnamamide, 3-trifluoromethyl-N-benzyl-N-heptyl-
SpectraBase Compound ID JScBUZNMmWO
InChI InChI=1S/C24H28F3NO/c1-2-3-4-5-9-17-28(19-21-11-7-6-8-12-21)23(29)16-15-20-13-10-14-22(18-20)24(25,26)27/h6-8,10-16,18H,2-5,9,17,19H2,1H3/b16-15+
InChIKey IHLIAQINUXNZBM-FOCLMDBBSA-N
Mol Weight 403.49 g/mol
Molecular Formula C24H28F3NO
Exact Mass 403.212299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JhSO3aIFwAL
Name Trans-cinnamamide, 3-trifluoromethyl-N-benzyl-N-heptyl-
Comments Computed using HOSE algorithm
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Exact Mass 403.212299014 u
Formula C24H28F3NO
InChI InChI=1S/C24H28F3NO/c1-2-3-4-5-9-17-28(19-21-11-7-6-8-12-21)23(29)16-15-20-13-10-14-22(18-20)24(25,26)27/h6-8,10-16,18H,2-5,9,17,19H2,1H3/b16-15+
InChIKey IHLIAQINUXNZBM-FOCLMDBBSA-N
Molecular Weight 403.489 g/mol
SMILES C(N(CCCCCCC)CC1=CC=CC=C1)(=O)\C=C\C1=CC=CC(=C1)C(F)(F)F