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Benzamide, 2-fluoro-3-trifluoromethyl-N-(2-pentyl)-N-hexadecyl-

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Benzamide, 2-fluoro-3-trifluoromethyl-N-(2-pentyl)-N-hexadecyl-
SpectraBase Compound ID 5zr1sLuw4Df
InChI InChI=1S/C29H47F4NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-23-34(24(3)20-5-2)28(35)25-21-19-22-26(27(25)30)29(31,32)33/h19,21-22,24H,4-18,20,23H2,1-3H3
InChIKey RSXBHHRFSTZJDK-UHFFFAOYSA-N
Mol Weight 501.7 g/mol
Molecular Formula C29H47F4NO
Exact Mass 501.359378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DMI9xD3XB5j
Name Benzamide, 2-fluoro-3-trifluoromethyl-N-(2-pentyl)-N-hexadecyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 501.359377788 u
Formula C29H47F4NO
InChI InChI=1S/C29H47F4NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-23-34(24(3)20-5-2)28(35)25-21-19-22-26(27(25)30)29(31,32)33/h19,21-22,24H,4-18,20,23H2,1-3H3
InChIKey RSXBHHRFSTZJDK-UHFFFAOYSA-N
Molecular Weight 501.695 g/mol
SMILES C(C1=C(C(=CC=C1)C(F)(F)F)F)(N(CCCCCCCCCCCCCCCC)C(CCC)C)=O