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6-Hydroxy-3-methyl-6-(3'-nitrophenyl)-hexa-3,4-dien-2-one
SpectraBase Compound ID 8TjpBcfYlbQ
InChI InChI=1S/C13H13NO4/c1-9(10(2)15)6-7-13(16)11-4-3-5-12(8-11)14(17)18/h3-5,7-8,13,16H,1-2H3
InChIKey OCOZHEHDIRDYOZ-UHFFFAOYSA-N
Mol Weight 247.25 g/mol
Molecular Formula C13H13NO4
Exact Mass 247.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID wfD9klFGzM
Name 6-Hydroxy-3-methyl-6-(3'-nitrophenyl)-hexa-3,4-dien-2-one
Alternate Name(s) 6-Hydroxy-3-methyl-6-(3-nitrophenyl)hexa-3,4-dien-2-one 6-Hydroxy-3-methyl-6-(3-nitrophenyl)-2-hexa-3,4-dienone 3-Methyl-6-(3-nitrophenyl)-6-oxidanyl-hexa-3,4-dien-2-one
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Formula C13H13NO4
InChI InChI=1S/C13H13NO4/c1-9(10(2)15)6-7-13(16)11-4-3-5-12(8-11)14(17)18/h3-5,7-8,13,16H,1-2H3
InChIKey OCOZHEHDIRDYOZ-UHFFFAOYSA-N
Molecular Weight 247.250 g/mol
SMILES OC(C=C=C(C(=O)C)C)c1cc(N(=O)=O)ccc1
SPLASH splash10-0006-9600000000-7cf302ad47304fb5a848
Source of Spectrum F5-3-3693-6g
Wiley ID 1732560