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2-(4-nitrobenzylidene)-1-phenylbutane-1,3-dione
SpectraBase Compound ID 3RW9dxUG83B
InChI InChI=1S/C17H13NO4/c1-12(19)16(17(20)14-5-3-2-4-6-14)11-13-7-9-15(10-8-13)18(21)22/h2-11H,1H3/b16-11-
InChIKey ADIABJRCZSTLTI-WJDWOHSUSA-N
Mol Weight 295.29 g/mol
Molecular Formula C17H13NO4
Exact Mass 295.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mwd6B9t32
Name 2-(4-nitrobenzylidene)-1-phenylbutane-1,3-dione
Alternate Name(s) (Z)-2-(4-nitrobenzylidene)-1-phenylbutane-1,3-dione (2Z)-2-[(4-nitrophenyl)methylidene]-1-phenylbutane-1,3-dione (2Z)-2-[(4-nitrophenyl)methylene]-1-phenyl-butane-1,3-dione (2Z)-2-[(4-nitrophenyl)methylidene]-1-phenyl-butane-1,3-dione
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Formula C17H13NO4
InChI InChI=1S/C17H13NO4/c1-12(19)16(17(20)14-5-3-2-4-6-14)11-13-7-9-15(10-8-13)18(21)22/h2-11H,1H3/b16-11-
InChIKey ADIABJRCZSTLTI-WJDWOHSUSA-N
Literature Reference DOI 10.1021/ol101080q
Molecular Weight 295.294 g/mol
SMILES CC(=O)\C(=C\c1ccc(cc1)[N+](=O)[O-])C(=O)c1ccccc1
SPLASH splash10-0a6r-8910000000-d974b8d91ad157a51540
Source of Spectrum A1-12-3066/SMS52-4j
Wiley ID 1752315