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Benzamide, 2-trifluoromethyl-N-benzyl-N-hexadecyl-
SpectraBase Compound ID 1f78Wh0csLQ
InChI InChI=1S/C31H44F3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-35(26-27-21-16-15-17-22-27)30(36)28-23-18-19-24-29(28)31(32,33)34/h15-19,21-24H,2-14,20,25-26H2,1H3
InChIKey PKZICZDALHOBLN-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 DLJKz7W0A8p
Name Benzamide, 2-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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-35(26-27-21-16-15-17-22-27)30(36)28-23-18-19-24-29(28)31(32,33)34/h15-19,21-24H,2-14,20,25-26H2,1H3
InChIKey PKZICZDALHOBLN-UHFFFAOYSA-N
Molecular Weight 503.694 g/mol
SMILES C(N(CCCCCCCCCCCCCCCC)CC1=CC=CC=C1)(=O)C=1C(C(F)(F)F)=CC=CC1