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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 DZ076Fs6iPe
Name 2-[(4-nitrophenyl)-oxidanyl-methyl]cyclohex-2-en-1-one
Alternate Name(s) 2-[hydroxy-(4-nitrophenyl)methyl]-1-cyclohex-2-enone 2-[hydroxy-(4-nitrophenyl)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(=O)CCCC1)c1ccc(N(=O)=O)cc1
SPLASH splash10-001i-0090000000-dc07ff0760f6ecf0dee4
Source of Spectrum F-54-11821-4
Wiley ID 809067