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2-[(2-chloranyl-5-nitro-phenyl)-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione

View entire compound with spectra: 1 MS (GC)

2-[(2-chloranyl-5-nitro-phenyl)-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione
SpectraBase Compound ID 4lI37eqrG14
InChI InChI=1S/C23H26ClNO6/c1-22(2)8-15(26)20(16(27)9-22)19(13-7-12(25(30)31)5-6-14(13)24)21-17(28)10-23(3,4)11-18(21)29/h5-7,19-20,28H,8-11H2,1-4H3
InChIKey DBPFAJNWKCOZOA-UHFFFAOYSA-N
Mol Weight 447.92 g/mol
Molecular Formula C23H26ClNO6
Exact Mass 447.144865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EqLicMBwoWL
Name 2-[(2-chloranyl-5-nitro-phenyl)-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione
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Formula C23H26ClNO6
InChI InChI=1S/C23H26ClNO6/c1-22(2)8-15(26)20(16(27)9-22)19(13-7-12(25(30)31)5-6-14(13)24)21-17(28)10-23(3,4)11-18(21)29/h5-7,19-20,28H,8-11H2,1-4H3
InChIKey DBPFAJNWKCOZOA-UHFFFAOYSA-N
Molecular Weight 447.915 g/mol
SMILES OC=1CC(CC(C1C(c1cc(ccc1Cl)N(=O)=O)C1C(CC(CC1=O)(C)C)=O)=O)(C)C
SPLASH splash10-00dl-5495300000-0c647bae4e33c741a58f
Synonyms 2-[(2-chloro-5-nitro-phenyl)-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione 2-[(2-chloro-5-nitro-phenyl)-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone 2-[(2-chloro-5-nitrophenyl)(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione 2-[(2-chloro-5-nitrophenyl)-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Wiley ID 1454534