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3-Fluoro-5-(trifluoromethyl)benzamide, N-(2-phenylethyl)-N-hexadecyl-

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3-Fluoro-5-(trifluoromethyl)benzamide, N-(2-phenylethyl)-N-hexadecyl-
SpectraBase Compound ID BDVEdIrxfW6
InChI InChI=1S/C32H45F4NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22-37(23-21-27-19-16-15-17-20-27)31(38)28-24-29(32(34,35)36)26-30(33)25-28/h15-17,19-20,24-26H,2-14,18,21-23H2,1H3
InChIKey SQCFDCYVDGDFJN-UHFFFAOYSA-N
Mol Weight 535.7 g/mol
Molecular Formula C32H45F4NO
Exact Mass 535.343728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DYEX0R6hZLV
Name 3-Fluoro-5-(trifluoromethyl)benzamide, N-(2-phenylethyl)-N-hexadecyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 535.343727724 u
Formula C32H45F4NO
InChI InChI=1S/C32H45F4NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-22-37(23-21-27-19-16-15-17-20-27)31(38)28-24-29(32(34,35)36)26-30(33)25-28/h15-17,19-20,24-26H,2-14,18,21-23H2,1H3
InChIKey SQCFDCYVDGDFJN-UHFFFAOYSA-N
Molecular Weight 535.712 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)C=1C=C(C=C(F)C1)C(F)(F)F)CCCCCCCCCCCCCCCC