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2,5-di(Trifluoromethyl)benzamide, N-(2-phenylethyl)-N-hexadecyl-
SpectraBase Compound ID 1PdD1mrRfgT
InChI InChI=1S/C33H45F6NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-40(25-23-27-19-16-15-17-20-27)31(41)29-26-28(32(34,35)36)21-22-30(29)33(37,38)39/h15-17,19-22,26H,2-14,18,23-25H2,1H3
InChIKey AMECGZNSSSIMOD-UHFFFAOYSA-N
Mol Weight 585.7 g/mol
Molecular Formula C33H45F6NO
Exact Mass 585.340534 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2xoKhzUsMpT
Name 2,5-di(Trifluoromethyl)benzamide, N-(2-phenylethyl)-N-hexadecyl-
Comments Computed using HOSE algorithm
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Exact Mass 585.340534050 u
Formula C33H45F6NO
InChI InChI=1S/C33H45F6NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-24-40(25-23-27-19-16-15-17-20-27)31(41)29-26-28(32(34,35)36)21-22-30(29)33(37,38)39/h15-17,19-22,26H,2-14,18,23-25H2,1H3
InChIKey AMECGZNSSSIMOD-UHFFFAOYSA-N
Molecular Weight 585.719 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)C=1C=C(C=CC1C(F)(F)F)C(F)(F)F)CCCCCCCCCCCCCCCC