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2-(1-keto-3,3-dimethyl-7-nitro-4,9-dihydro-2H-xanthen-9-yl)-5,5-dimethyl-cyclohexane-1,3-quinone
SpectraBase Compound ID FNEGbWPHVVc
InChI InChI=1S/C23H25NO6/c1-22(2)8-14(25)20(15(26)9-22)19-13-7-12(24(28)29)5-6-17(13)30-18-11-23(3,4)10-16(27)21(18)19/h5-7,19-20H,8-11H2,1-4H3
InChIKey HPRTZYUKPYEWFQ-UHFFFAOYSA-N
Mol Weight 411.45 g/mol
Molecular Formula C23H25NO6
Exact Mass 411.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90M09LtwN2m
Name 2-(1-keto-3,3-dimethyl-7-nitro-4,9-dihydro-2H-xanthen-9-yl)-5,5-dimethyl-cyclohexane-1,3-quinone
Alternate Name(s) 2-(3,3-dimethyl-7-nitro-1-oxidanylidene-4,9-dihydro-2H-xanthen-9-yl)-5,5-dimethyl-cyclohexane-1,3-dione 2-(3,3-dimethyl-7-nitro-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-5,5-dimethyl-cyclohexane-1,3-dione
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Formula C23H25NO6
InChI InChI=1S/C23H25NO6/c1-22(2)8-14(25)20(15(26)9-22)19-13-7-12(24(28)29)5-6-17(13)30-18-11-23(3,4)10-16(27)21(18)19/h5-7,19-20H,8-11H2,1-4H3
InChIKey HPRTZYUKPYEWFQ-UHFFFAOYSA-N
Molecular Weight 411.454 g/mol
SMILES C1=2C(c3cc(N(=O)=O)ccc3OC2CC(CC1=O)(C)C)C1C(CC(CC1=O)(C)C)=O
SPLASH splash10-000x-9633000000-f714d546300cde6adb57
Wiley ID 1437314