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Benzamide, 2-fluoro-6-trifluoromethyl-N-benzyl-N-octadecyl-

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Benzamide, 2-fluoro-6-trifluoromethyl-N-benzyl-N-octadecyl-
SpectraBase Compound ID LWafkSbQWNG
InChI InChI=1S/C33H47F4NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-38(27-28-22-18-17-19-23-28)32(39)31-29(33(35,36)37)24-21-25-30(31)34/h17-19,21-25H,2-16,20,26-27H2,1H3
InChIKey KMLKUBFLEVLARN-UHFFFAOYSA-N
Mol Weight 549.7 g/mol
Molecular Formula C33H47F4NO
Exact Mass 549.359378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9825MVZouFv
Name Benzamide, 2-fluoro-6-trifluoromethyl-N-benzyl-N-octadecyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 549.359377788 u
Formula C33H47F4NO
InChI InChI=1S/C33H47F4NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-38(27-28-22-18-17-19-23-28)32(39)31-29(33(35,36)37)24-21-25-30(31)34/h17-19,21-25H,2-16,20,26-27H2,1H3
InChIKey KMLKUBFLEVLARN-UHFFFAOYSA-N
Molecular Weight 549.739 g/mol
SMILES C(N(CCCCCCCCCCCCCCCCCC)CC1=CC=CC=C1)(=O)C=1C(F)=CC=CC1C(F)(F)F