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

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2-Fluoro-5-(trifluoromethyl)benzamide, N-(2-phenylethyl)-N-(2-heptyl)-
SpectraBase Compound ID 8kUsHkt9lGO
InChI InChI=1S/C23H27F4NO/c1-3-4-6-9-17(2)28(15-14-18-10-7-5-8-11-18)22(29)20-16-19(23(25,26)27)12-13-21(20)24/h5,7-8,10-13,16-17H,3-4,6,9,14-15H2,1-2H3
InChIKey SPARQUCEIHLISG-UHFFFAOYSA-N
Mol Weight 409.47 g/mol
Molecular Formula C23H27F4NO
Exact Mass 409.202877 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2QhdtW3YZZn
Name 2-Fluoro-5-(trifluoromethyl)benzamide, N-(2-phenylethyl)-N-(2-heptyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.202877144 u
Formula C23H27F4NO
InChI InChI=1S/C23H27F4NO/c1-3-4-6-9-17(2)28(15-14-18-10-7-5-8-11-18)22(29)20-16-19(23(25,26)27)12-13-21(20)24/h5,7-8,10-13,16-17H,3-4,6,9,14-15H2,1-2H3
InChIKey SPARQUCEIHLISG-UHFFFAOYSA-N
Molecular Weight 409.469 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)C=1C=C(C=CC1F)C(F)(F)F)C(CCCCC)C