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

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3-Fluoro-5-(trifluoromethyl)benzamide, N-(2-phenylethyl)-N-undecyl-
SpectraBase Compound ID CnVylmYwHpV
InChI InChI=1S/C27H35F4NO/c1-2-3-4-5-6-7-8-9-13-17-32(18-16-22-14-11-10-12-15-22)26(33)23-19-24(27(29,30)31)21-25(28)20-23/h10-12,14-15,19-21H,2-9,13,16-18H2,1H3
InChIKey ORSGQWKUNWUBFV-UHFFFAOYSA-N
Mol Weight 465.6 g/mol
Molecular Formula C27H35F4NO
Exact Mass 465.265477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6iGalZA9aW5
Name 3-Fluoro-5-(trifluoromethyl)benzamide, N-(2-phenylethyl)-N-undecyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 465.265477402 u
Formula C27H35F4NO
InChI InChI=1S/C27H35F4NO/c1-2-3-4-5-6-7-8-9-13-17-32(18-16-22-14-11-10-12-15-22)26(33)23-19-24(27(29,30)31)21-25(28)20-23/h10-12,14-15,19-21H,2-9,13,16-18H2,1H3
InChIKey ORSGQWKUNWUBFV-UHFFFAOYSA-N
Molecular Weight 465.577 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)C=1C=C(C=C(F)C1)C(F)(F)F)CCCCCCCCCCC