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3-Fluoro-6-(trifluoromethyl)benzamide, N-(2-phenylethyl)-N-octadecyl-

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3-Fluoro-6-(trifluoromethyl)benzamide, N-(2-phenylethyl)-N-octadecyl-
SpectraBase Compound ID 47gvyfNmeHx
InChI InChI=1S/C34H49F4NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-39(27-25-29-21-18-17-19-22-29)33(40)31-28-30(35)23-24-32(31)34(36,37)38/h17-19,21-24,28H,2-16,20,25-27H2,1H3
InChIKey BKCUVQXAVRFXAT-UHFFFAOYSA-N
Mol Weight 563.8 g/mol
Molecular Formula C34H49F4NO
Exact Mass 563.375028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 62y4VOSJedE
Name 3-Fluoro-6-(trifluoromethyl)benzamide, N-(2-phenylethyl)-N-octadecyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 563.375027853 u
Formula C34H49F4NO
InChI InChI=1S/C34H49F4NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-39(27-25-29-21-18-17-19-22-29)33(40)31-28-30(35)23-24-32(31)34(36,37)38/h17-19,21-24,28H,2-16,20,25-27H2,1H3
InChIKey BKCUVQXAVRFXAT-UHFFFAOYSA-N
Molecular Weight 563.766 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)C1=C(C(F)(F)F)C=CC(F)=C1)CCCCCCCCCCCCCCCCCC