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Benzamide, 3-fluoro-5-trifluoromethyl-N-propyl-N-tetradecyl-
SpectraBase Compound ID LFm8rpLcU4P
InChI InChI=1S/C25H39F4NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-30(16-4-2)24(31)21-18-22(25(27,28)29)20-23(26)19-21/h18-20H,3-17H2,1-2H3
InChIKey XBYXJSLPVQWAJH-UHFFFAOYSA-N
Mol Weight 445.6 g/mol
Molecular Formula C25H39F4NO
Exact Mass 445.296778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6fJyfjMr7bx
Name Benzamide, 3-fluoro-5-trifluoromethyl-N-propyl-N-tetradecyl-
Comments Computed using HOSE algorithm
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Exact Mass 445.296777531 u
Formula C25H39F4NO
InChI InChI=1S/C25H39F4NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-30(16-4-2)24(31)21-18-22(25(27,28)29)20-23(26)19-21/h18-20H,3-17H2,1-2H3
InChIKey XBYXJSLPVQWAJH-UHFFFAOYSA-N
Molecular Weight 445.587 g/mol
SMILES C(N(CCC)CCCCCCCCCCCCCC)(=O)C=1C=C(C=C(C(F)(F)F)C1)F