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2-[.alpha.-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-4-nitrobenzyl]-5,5-dimethyl-1,3-cyclohexanedione
SpectraBase Compound ID LB4OkZSBeVW
InChI InChI=1S/C23H27NO6/c1-22(2)9-15(25)20(16(26)10-22)19(13-5-7-14(8-6-13)24(29)30)21-17(27)11-23(3,4)12-18(21)28/h5-8,19-20,27H,9-12H2,1-4H3
InChIKey BOKLYDRAFNRXJR-UHFFFAOYSA-N
Mol Weight 413.47 g/mol
Molecular Formula C23H27NO6
Exact Mass 413.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5mfSvbQK2vk
Name 2-[.alpha.-(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-4-nitrobenzyl]-5,5-dimethyl-1,3-cyclohexanedione
Alternate Name(s) 2-[(2-Hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(4-nitrophenyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(4-nitrophenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(4-nitrophenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione 2-[(6-hydroxy-4,4-dimethyl-2-oxocyclohex-1(6)-enyl)(4-nitrophenyl)methyl]-5,5- dimethylcyclohexane-1,3-dione
CAS Registry Number 293323-68-9
Comments Structure changed after expert review
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Formula C23H27NO6
InChI InChI=1S/C23H27NO6/c1-22(2)9-15(25)20(16(26)10-22)19(13-5-7-14(8-6-13)24(29)30)21-17(27)11-23(3,4)12-18(21)28/h5-8,19-20,27H,9-12H2,1-4H3
InChIKey BOKLYDRAFNRXJR-UHFFFAOYSA-N
Molecular Weight 413.470 g/mol
SMILES OC1=C(C(c2ccc(cc2)[N+]([O-])=O)C2C(CC(CC2=O)(C)C)=O)C(CC(C1)(C)C)=O
SPLASH splash10-0a59-9310000000-666ed3ba798fd1b8e359
Wiley ID 1468514