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Trans-cinnamamide, 3-trifluoromethyl-N-butyl-N-hexadecyl-
SpectraBase Compound ID ApnScZfbAiK
InChI InChI=1S/C30H48F3NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-25-34(24-6-4-2)29(35)23-22-27-20-19-21-28(26-27)30(31,32)33/h19-23,26H,3-18,24-25H2,1-2H3/b23-22+
InChIKey JGNJKZIZLUTZPZ-GHVJWSGMSA-N
Mol Weight 495.7 g/mol
Molecular Formula C30H48F3NO
Exact Mass 495.3688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BmqWMHNvEow
Name Trans-cinnamamide, 3-trifluoromethyl-N-butyl-N-hexadecyl-
Comments Computed using HOSE algorithm
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Exact Mass 495.368799658 u
Formula C30H48F3NO
InChI InChI=1S/C30H48F3NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-25-34(24-6-4-2)29(35)23-22-27-20-19-21-28(26-27)30(31,32)33/h19-23,26H,3-18,24-25H2,1-2H3/b23-22+
InChIKey JGNJKZIZLUTZPZ-GHVJWSGMSA-N
Molecular Weight 495.715 g/mol
SMILES C1=C(C=C(C=C1)\C=C\C(N(CCCCCCCCCCCCCCCC)CCCC)=O)C(F)(F)F