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Pentadecafluorooctanoylamide, N-benzyl-N-ethyl-
SpectraBase Compound ID 2JGWDpmc2a9
InChI InChI=1S/C17H12F15NO/c1-2-33(8-9-6-4-3-5-7-9)10(34)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h3-7H,2,8H2,1H3
InChIKey CYJLNBIQYWALCR-UHFFFAOYSA-N
Mol Weight 531.27 g/mol
Molecular Formula C17H12F15NO
Exact Mass 531.067936 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6y3ILKVYezr
Name Pentadecafluorooctanoylamide, N-benzyl-N-ethyl-
Comments Computed using HOSE algorithm
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Exact Mass 531.067936454 u
Formula C17H12F15NO
InChI InChI=1S/C17H12F15NO/c1-2-33(8-9-6-4-3-5-7-9)10(34)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h3-7H,2,8H2,1H3
InChIKey CYJLNBIQYWALCR-UHFFFAOYSA-N
Molecular Weight 531.265 g/mol
SMILES C1=CC=C(C=C1)CN(C(=O)C(C(F)(F)C(C(F)(F)C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CC