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Benzamide, 3-trifluoromethyl-N-benzyl-N-hexadecyl-
SpectraBase Compound ID LL8KsJuPkA3
InChI InChI=1S/C31H44F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-35(26-27-20-16-15-17-21-27)30(36)28-22-19-23-29(25-28)31(32,33)34/h15-17,19-23,25H,2-14,18,24,26H2,1H3
InChIKey AIXYPHVLVXECHU-UHFFFAOYSA-N
Mol Weight 503.7 g/mol
Molecular Formula C31H44F3NO
Exact Mass 503.3375 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IUho6z8ZifX
Name Benzamide, 3-trifluoromethyl-N-benzyl-N-hexadecyl-
Comments Computed using HOSE algorithm
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Exact Mass 503.337499529 u
Formula C31H44F3NO
InChI InChI=1S/C31H44F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-35(26-27-20-16-15-17-21-27)30(36)28-22-19-23-29(25-28)31(32,33)34/h15-17,19-23,25H,2-14,18,24,26H2,1H3
InChIKey AIXYPHVLVXECHU-UHFFFAOYSA-N
Molecular Weight 503.694 g/mol
SMILES C(N(CCCCCCCCCCCCCCCC)CC1=CC=CC=C1)(=O)C1=CC(C(F)(F)F)=CC=C1