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

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3-Fluoro-5-(trifluoromethyl)benzamide, N-(2-phenylethyl)-N-dodecyl-
SpectraBase Compound ID BsBB8ndXN2k
InChI InChI=1S/C28H37F4NO/c1-2-3-4-5-6-7-8-9-10-14-18-33(19-17-23-15-12-11-13-16-23)27(34)24-20-25(28(30,31)32)22-26(29)21-24/h11-13,15-16,20-22H,2-10,14,17-19H2,1H3
InChIKey YKSRAYJRTQZVQQ-UHFFFAOYSA-N
Mol Weight 479.6 g/mol
Molecular Formula C28H37F4NO
Exact Mass 479.281127 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C7T792ruGeD
Name 3-Fluoro-5-(trifluoromethyl)benzamide, N-(2-phenylethyl)-N-dodecyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 479.281127466 u
Formula C28H37F4NO
InChI InChI=1S/C28H37F4NO/c1-2-3-4-5-6-7-8-9-10-14-18-33(19-17-23-15-12-11-13-16-23)27(34)24-20-25(28(30,31)32)22-26(29)21-24/h11-13,15-16,20-22H,2-10,14,17-19H2,1H3
InChIKey YKSRAYJRTQZVQQ-UHFFFAOYSA-N
Molecular Weight 479.604 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)C=1C=C(C=C(F)C1)C(F)(F)F)CCCCCCCCCCCC