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Trans-cinnamamide, 3-trifluoromethyl-N-butyl-N-(2-ethylhexyl)-
SpectraBase Compound ID 2CMGDXDVAcx
InChI InChI=1S/C22H32F3NO/c1-4-7-10-18(6-3)17-26(15-8-5-2)21(27)14-13-19-11-9-12-20(16-19)22(23,24)25/h9,11-14,16,18H,4-8,10,15,17H2,1-3H3/b14-13+
InChIKey MHNMPCSTZGKZCQ-BUHFOSPRSA-N
Mol Weight 383.5 g/mol
Molecular Formula C22H32F3NO
Exact Mass 383.243599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KaJRsdweVVa
Name Trans-cinnamamide, 3-trifluoromethyl-N-butyl-N-(2-ethylhexyl)-
Comments Computed using HOSE algorithm
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Exact Mass 383.243599142 u
Formula C22H32F3NO
InChI InChI=1S/C22H32F3NO/c1-4-7-10-18(6-3)17-26(15-8-5-2)21(27)14-13-19-11-9-12-20(16-19)22(23,24)25/h9,11-14,16,18H,4-8,10,15,17H2,1-3H3/b14-13+
InChIKey MHNMPCSTZGKZCQ-BUHFOSPRSA-N
Molecular Weight 383.499 g/mol
SMILES C1=C(C=C(C=C1)\C=C\C(N(CC(CCCC)CC)CCCC)=O)C(F)(F)F