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Trans-cinnamamide, 3-trifluoromethyl-N-benzyl-N-tetradecyl-

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Trans-cinnamamide, 3-trifluoromethyl-N-benzyl-N-tetradecyl-
SpectraBase Compound ID HUxNHAKrESi
InChI InChI=1S/C31H42F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-24-35(26-28-18-14-13-15-19-28)30(36)23-22-27-20-17-21-29(25-27)31(32,33)34/h13-15,17-23,25H,2-12,16,24,26H2,1H3/b23-22+
InChIKey FPNORMBMSCYTBA-GHVJWSGMSA-N
Mol Weight 501.7 g/mol
Molecular Formula C31H42F3NO
Exact Mass 501.321849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 52qxw8dnyao
Name Trans-cinnamamide, 3-trifluoromethyl-N-benzyl-N-tetradecyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 501.321849464 u
Formula C31H42F3NO
InChI InChI=1S/C31H42F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-24-35(26-28-18-14-13-15-19-28)30(36)23-22-27-20-17-21-29(25-27)31(32,33)34/h13-15,17-23,25H,2-12,16,24,26H2,1H3/b23-22+
InChIKey FPNORMBMSCYTBA-GHVJWSGMSA-N
Molecular Weight 501.678 g/mol
SMILES C(N(CCCCCCCCCCCCCC)CC1=CC=CC=C1)(=O)\C=C\C1=CC=CC(=C1)C(F)(F)F