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Heptafluorobutanamide, N-(2-phenylethyl)-N-octyl-
SpectraBase Compound ID B7ZaXULfBnT
InChI InChI=1S/C20H26F7NO/c1-2-3-4-5-6-10-14-28(15-13-16-11-8-7-9-12-16)17(29)18(21,22)19(23,24)20(25,26)27/h7-9,11-12H,2-6,10,13-15H2,1H3
InChIKey WVJJCJBRZKBJEI-UHFFFAOYSA-N
Mol Weight 429.42 g/mol
Molecular Formula C20H26F7NO
Exact Mass 429.190262 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFQNVjBiYoq
Name Heptafluorobutanamide, N-(2-phenylethyl)-N-octyl-
Comments Computed using HOSE algorithm
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Exact Mass 429.190261601 u
Formula C20H26F7NO
InChI InChI=1S/C20H26F7NO/c1-2-3-4-5-6-10-14-28(15-13-16-11-8-7-9-12-16)17(29)18(21,22)19(23,24)20(25,26)27/h7-9,11-12H,2-6,10,13-15H2,1H3
InChIKey WVJJCJBRZKBJEI-UHFFFAOYSA-N
Molecular Weight 429.423 g/mol
SMILES C1=CC=CC(=C1)CCN(C(=O)C(C(C(F)(F)F)(F)F)(F)F)CCCCCCCC