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2-[(4-nitrophenyl)-oxidanyl-methyl]cyclohex-2-en-1-one
SpectraBase Compound ID BUICGg1Qf0B
InChI InChI=1S/C13H13NO4/c15-12-4-2-1-3-11(12)13(16)9-5-7-10(8-6-9)14(17)18/h3,5-8,13,16H,1-2,4H2
InChIKey MTNHTQZZUUIZKF-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 C29T772tC4e
Name 2-[(4-nitrophenyl)-oxidanyl-methyl]cyclohex-2-en-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/h3,5-8,13,16H,1-2,4H2
InChIKey MTNHTQZZUUIZKF-UHFFFAOYSA-N
Molecular Weight 247.250 g/mol
SMILES OC(C=1C(CCCC1)=O)c1ccc(cc1)N(=O)=O
SPLASH splash10-001i-0090000000-4f75832f27e08776da63
Source of Spectrum U1-2002-3672-1
Synonyms 2-[hydroxy-(4-nitrophenyl)methyl]-1-cyclohex-2-enone 2-[hydroxy-(4-nitrophenyl)methyl]cyclohex-2-en-1-one
Wiley ID 1523439