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

View entire compound with spectra: 1 NMR

3-Fluoro-5-(trifluoromethyl)benzamide, N-(2-phenylethyl)-N-heptyl-
SpectraBase Compound ID 8YF9gxe1PCQ
InChI InChI=1S/C23H27F4NO/c1-2-3-4-5-9-13-28(14-12-18-10-7-6-8-11-18)22(29)19-15-20(23(25,26)27)17-21(24)16-19/h6-8,10-11,15-17H,2-5,9,12-14H2,1H3
InChIKey YNZPRDYKTLZUOI-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 AiLStjIYNRP
Name 3-Fluoro-5-(trifluoromethyl)benzamide, N-(2-phenylethyl)-N-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/c1-2-3-4-5-9-13-28(14-12-18-10-7-6-8-11-18)22(29)19-15-20(23(25,26)27)17-21(24)16-19/h6-8,10-11,15-17H,2-5,9,12-14H2,1H3
InChIKey YNZPRDYKTLZUOI-UHFFFAOYSA-N
Molecular Weight 409.469 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)C=1C=C(C=C(F)C1)C(F)(F)F)CCCCCCC