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2-Fluoro-5-(trifluoromethyl)benzamide, N-(2-phenylethyl)-N-decyl-

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2-Fluoro-5-(trifluoromethyl)benzamide, N-(2-phenylethyl)-N-decyl-
SpectraBase Compound ID 4DwYD2dwsVr
InChI InChI=1S/C26H33F4NO/c1-2-3-4-5-6-7-8-12-18-31(19-17-21-13-10-9-11-14-21)25(32)23-20-22(26(28,29)30)15-16-24(23)27/h9-11,13-16,20H,2-8,12,17-19H2,1H3
InChIKey PXSMEUUZKNZILD-UHFFFAOYSA-N
Mol Weight 451.5 g/mol
Molecular Formula C26H33F4NO
Exact Mass 451.249827 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IkjNUDmxI6C
Name 2-Fluoro-5-(trifluoromethyl)benzamide, N-(2-phenylethyl)-N-decyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.249827338 u
Formula C26H33F4NO
InChI InChI=1S/C26H33F4NO/c1-2-3-4-5-6-7-8-12-18-31(19-17-21-13-10-9-11-14-21)25(32)23-20-22(26(28,29)30)15-16-24(23)27/h9-11,13-16,20H,2-8,12,17-19H2,1H3
InChIKey PXSMEUUZKNZILD-UHFFFAOYSA-N
Molecular Weight 451.550 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)C=1C=C(C=CC1F)C(F)(F)F)CCCCCCCCCC