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6-[1-Hydroxy-1-(4-nitrophenyl)methyl]-2-cyclohexen-1-one
SpectraBase Compound ID 6pIv8yOxRxY
InChI InChI=1S/C13H13NO4/c15-12-4-2-1-3-11(12)13(16)9-5-7-10(8-6-9)14(17)18/h2,4-8,11,13,16H,1,3H2
InChIKey CYLHUAMIDXCXQB-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 11R9B8Nx6JT
Name 6-[1-Hydroxy-1-(4-nitrophenyl)methyl]-2-cyclohexen-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C13H13NO4
InChI InChI=1S/C13H13NO4/c15-12-4-2-1-3-11(12)13(16)9-5-7-10(8-6-9)14(17)18/h2,4-8,11,13,16H,1,3H2
InChIKey CYLHUAMIDXCXQB-UHFFFAOYSA-N
Molecular Weight 247.250 g/mol
SMILES OC(C1C(C=CCC1)=O)c1ccc(N(=O)=O)cc1
SPLASH splash10-0002-9000000000-598ef01788612c8e4cab
Source of Spectrum F-54-11821-5
Synonyms 6-[hydroxy(4-nitrophenyl)methyl]-2-cyclohexen-1-one
Wiley ID 809066