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2,5-Hexanedione, bis[(2,4-dinitrophenyl)hydrazone]
SpectraBase Compound ID HkZTSEOzopP
InChI InChI=1S/C18H18N8O8/c1-11(19-21-15-7-5-13(23(27)28)9-17(15)25(31)32)3-4-12(2)20-22-16-8-6-14(24(29)30)10-18(16)26(33)34/h5-10,21-22H,3-4H2,1-2H3/b19-11+,20-12+
InChIKey IMOFTFATXDBNJA-AYKLPDECSA-N
Mol Weight 474.39 g/mol
Molecular Formula C18H18N8O8
Exact Mass 474.12476 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L0D3c4HlwnE
Name 2,5-Hexanedione, bis[(2,4-dinitrophenyl)hydrazone]
Comments Computed using HOSE algorithm
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Exact Mass 474.124759564 u
Formula C18H18N8O8
InChI InChI=1S/C18H18N8O8/c1-11(19-21-15-7-5-13(23(27)28)9-17(15)25(31)32)3-4-12(2)20-22-16-8-6-14(24(29)30)10-18(16)26(33)34/h5-10,21-22H,3-4H2,1-2H3/b19-11+,20-12+
InChIKey IMOFTFATXDBNJA-AYKLPDECSA-N
Molecular Weight 474.390 g/mol
SMILES N(C=1C(=CC(=CC1)N(=O)=O)N(=O)=O)\N=C\(CC\C(=N\NC1=C(C=C(C=C1)N(=O)=O)N(=O)=O)C)C