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Benzamide, 2-fluoro-3-trifluoromethyl-N-benzyl-N-tetradecyl-
SpectraBase Compound ID 5cSCtW2PL28
InChI InChI=1S/C29H39F4NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-22-34(23-24-18-14-13-15-19-24)28(35)25-20-17-21-26(27(25)30)29(31,32)33/h13-15,17-21H,2-12,16,22-23H2,1H3
InChIKey UQDMNEQSAHVLMI-UHFFFAOYSA-N
Mol Weight 493.6 g/mol
Molecular Formula C29H39F4NO
Exact Mass 493.296778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GpMy1MDToAF
Name Benzamide, 2-fluoro-3-trifluoromethyl-N-benzyl-N-tetradecyl-
Comments Computed using HOSE algorithm
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Exact Mass 493.296777531 u
Formula C29H39F4NO
InChI InChI=1S/C29H39F4NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-22-34(23-24-18-14-13-15-19-24)28(35)25-20-17-21-26(27(25)30)29(31,32)33/h13-15,17-21H,2-12,16,22-23H2,1H3
InChIKey UQDMNEQSAHVLMI-UHFFFAOYSA-N
Molecular Weight 493.631 g/mol
SMILES C(N(CCCCCCCCCCCCCC)CC1=CC=CC=C1)(=O)C=1C(F)=C(C=CC1)C(F)(F)F