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(E)-beta-Pentafluorophenylacrilic acid, N,N-dibutylamide
SpectraBase Compound ID 1UxxnQbhQgW
InChI InChI=1S/C17H20F5NO/c1-3-5-9-23(10-6-4-2)12(24)8-7-11-13(18)15(20)17(22)16(21)14(11)19/h7-8H,3-6,9-10H2,1-2H3/b8-7+
InChIKey QXAMRYKUNAINSB-BQYQJAHWSA-N
Mol Weight 349.35 g/mol
Molecular Formula C17H20F5NO
Exact Mass 349.146505 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GEgJsweEFNW
Name (E)-beta-Pentafluorophenylacrilic acid, N,N-dibutylamide
Comments Computed using HOSE algorithm
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Exact Mass 349.146505082 u
Formula C17H20F5NO
InChI InChI=1S/C17H20F5NO/c1-3-5-9-23(10-6-4-2)12(24)8-7-11-13(18)15(20)17(22)16(21)14(11)19/h7-8H,3-6,9-10H2,1-2H3/b8-7+
InChIKey QXAMRYKUNAINSB-BQYQJAHWSA-N
Molecular Weight 349.345 g/mol
SMILES c1(\C=C\C(=O)N(CCCC)CCCC)c(F)c(F)c(c(c1F)F)F