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Heptafluorobutyramide, N-benzyl-N-hexyl-
SpectraBase Compound ID KfyxcXwbUUU
InChI InChI=1S/C17H20F7NO/c1-2-3-4-8-11-25(12-13-9-6-5-7-10-13)14(26)15(18,19)16(20,21)17(22,23)24/h5-7,9-10H,2-4,8,11-12H2,1H3
InChIKey ICDPXVNVWHTPMS-UHFFFAOYSA-N
Mol Weight 387.34 g/mol
Molecular Formula C17H20F7NO
Exact Mass 387.143311 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DgPRBdPwylq
Name Heptafluorobutyramide, N-benzyl-N-hexyl-
Comments Computed using HOSE algorithm
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Exact Mass 387.143311408 u
Formula C17H20F7NO
InChI InChI=1S/C17H20F7NO/c1-2-3-4-8-11-25(12-13-9-6-5-7-10-13)14(26)15(18,19)16(20,21)17(22,23)24/h5-7,9-10H,2-4,8,11-12H2,1H3
InChIKey ICDPXVNVWHTPMS-UHFFFAOYSA-N
Molecular Weight 387.342 g/mol
SMILES C(N(CCCCCC)CC1=CC=CC=C1)(=O)C(C(C(F)(F)F)(F)F)(F)F