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5,5-Dimethylhexan-2-one 2 4-dinitrophenylhydrazone
SpectraBase Compound ID 4cGUE9e1ude
InChI InChI=1S/C14H20N4O4/c1-10(7-8-14(2,3)4)15-16-12-6-5-11(17(19)20)9-13(12)18(21)22/h5-6,9,16H,7-8H2,1-4H3/b15-10+
InChIKey ZGTNJTBXKFAIGX-XNTDXEJSSA-N
Mol Weight 308.34 g/mol
Molecular Formula C14H20N4O4
Exact Mass 308.148455 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IiUjzfBwHZ8
Name 5,5-Dimethylhexan-2-one 2 4-dinitrophenylhydrazone
Comments Computed using HOSE algorithm
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Exact Mass 308.148455136 u
Formula C14H20N4O4
InChI InChI=1S/C14H20N4O4/c1-10(7-8-14(2,3)4)15-16-12-6-5-11(17(19)20)9-13(12)18(21)22/h5-6,9,16H,7-8H2,1-4H3/b15-10+
InChIKey ZGTNJTBXKFAIGX-XNTDXEJSSA-N
SMILES C1(N(=O)=O)=CC(N(=O)=O)=CC=C1N\N=C\(CCC(C)(C)C)C