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1-Aminoanthraquinone, N-heptafluorobutyryl-

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1-Aminoanthraquinone, N-heptafluorobutyryl-
SpectraBase Compound ID LPGesHVEhG2
InChI InChI=1S/C18H8F7NO3/c19-16(20,17(21,22)18(23,24)25)15(29)26-11-7-3-6-10-12(11)14(28)9-5-2-1-4-8(9)13(10)27/h1-7H,(H,26,29)
InChIKey CNBJFNYJJAGHOD-UHFFFAOYSA-N
Mol Weight 419.25 g/mol
Molecular Formula C18H8F7NO3
Exact Mass 419.03924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GSWb50PDHDR
Name 1-Aminoanthraquinone, N-heptafluorobutyryl-
Comments Computed using HOSE algorithm
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Exact Mass 419.039240260 u
Formula C18H8F7NO3
InChI InChI=1S/C18H8F7NO3/c19-16(20,17(21,22)18(23,24)25)15(29)26-11-7-3-6-10-12(11)14(28)9-5-2-1-4-8(9)13(10)27/h1-7H,(H,26,29)
InChIKey CNBJFNYJJAGHOD-UHFFFAOYSA-N
Molecular Weight 419.255 g/mol
SMILES C1(C2=C(C(C3=C1C=CC=C3NC(=O)C(C(C(F)(F)F)(F)F)(F)F)=O)C=CC=C2)=O