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3-Fluoro-5-(trifluoromethyl)benzamide, N-(2-phenylethyl)-N-octadecyl-
SpectraBase Compound ID 4ZnsHrPD292
InChI InChI=1S/C34H49F4NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-39(25-23-29-21-18-17-19-22-29)33(40)30-26-31(34(36,37)38)28-32(35)27-30/h17-19,21-22,26-28H,2-16,20,23-25H2,1H3
InChIKey YUUKPAQKDHFJAH-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 qGaMCEB8Lh
Name 3-Fluoro-5-(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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-39(25-23-29-21-18-17-19-22-29)33(40)30-26-31(34(36,37)38)28-32(35)27-30/h17-19,21-22,26-28H,2-16,20,23-25H2,1H3
InChIKey YUUKPAQKDHFJAH-UHFFFAOYSA-N
Molecular Weight 563.766 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)C=1C=C(C=C(F)C1)C(F)(F)F)CCCCCCCCCCCCCCCCCC