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Benzamide, 2-trifluoromethyl-N-benzyl-N-octyl-
SpectraBase Compound ID J0CRyfvOPLC
InChI InChI=1S/C23H28F3NO/c1-2-3-4-5-6-12-17-27(18-19-13-8-7-9-14-19)22(28)20-15-10-11-16-21(20)23(24,25)26/h7-11,13-16H,2-6,12,17-18H2,1H3
InChIKey MFIGSKSMLJQGOB-UHFFFAOYSA-N
Mol Weight 391.48 g/mol
Molecular Formula C23H28F3NO
Exact Mass 391.212299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CGDyFZ3HGof
Name Benzamide, 2-trifluoromethyl-N-benzyl-N-octyl-
Comments Computed using HOSE algorithm
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Exact Mass 391.212299014 u
Formula C23H28F3NO
InChI InChI=1S/C23H28F3NO/c1-2-3-4-5-6-12-17-27(18-19-13-8-7-9-14-19)22(28)20-15-10-11-16-21(20)23(24,25)26/h7-11,13-16H,2-6,12,17-18H2,1H3
InChIKey MFIGSKSMLJQGOB-UHFFFAOYSA-N
Molecular Weight 391.478 g/mol
SMILES C(N(CCCCCCCC)CC1=CC=CC=C1)(=O)C=1C(C(F)(F)F)=CC=CC1