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Trans-cinnamamide, 3-trifluoromethyl-N-(2-butyl)-N-butyl-
SpectraBase Compound ID AU5awCSp7MQ
InChI InChI=1S/C18H24F3NO/c1-4-6-12-22(14(3)5-2)17(23)11-10-15-8-7-9-16(13-15)18(19,20)21/h7-11,13-14H,4-6,12H2,1-3H3/b11-10+
InChIKey WUMKBWJESFLXAK-ZHACJKMWSA-N
Mol Weight 327.39 g/mol
Molecular Formula C18H24F3NO
Exact Mass 327.180999 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IRVQavZJBs7
Name Trans-cinnamamide, 3-trifluoromethyl-N-(2-butyl)-N-butyl-
Comments Computed using HOSE algorithm
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Exact Mass 327.180998885 u
Formula C18H24F3NO
InChI InChI=1S/C18H24F3NO/c1-4-6-12-22(14(3)5-2)17(23)11-10-15-8-7-9-16(13-15)18(19,20)21/h7-11,13-14H,4-6,12H2,1-3H3/b11-10+
InChIKey WUMKBWJESFLXAK-ZHACJKMWSA-N
Molecular Weight 327.391 g/mol
SMILES C(N(CCCC)C(CC)C)(=O)\C=C\C1=CC=CC(=C1)C(F)(F)F