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2-Aminoanthraquinone, N-heptafluorobutyryl-

View entire compound with spectra: 1 NMR, and 1 FTIR

2-Aminoanthraquinone, N-heptafluorobutyryl-
SpectraBase Compound ID JBoXfNb2G75
InChI InChI=1S/C18H8F7NO3/c19-16(20,17(21,22)18(23,24)25)15(29)26-8-5-6-11-12(7-8)14(28)10-4-2-1-3-9(10)13(11)27/h1-7H,(H,26,29)
InChIKey GYYYGLHPKJATPH-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 JYnQgriRHVk
Name 2-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)26-8-5-6-11-12(7-8)14(28)10-4-2-1-3-9(10)13(11)27/h1-7H,(H,26,29)
InChIKey GYYYGLHPKJATPH-UHFFFAOYSA-N
Molecular Weight 419.255 g/mol
SMILES C1(C2=C(C(C3=C1C=CC(=C3)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)=O)C=CC=C2)=O