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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 4K2oh4Fn01F
Name 2-[A-(2-HYDROXY-4,4-DIMETHYL-6-OXO-1-CYCLOHEXEN-1-YL)-4-NITROBENZYL]-5,
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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 413.1831
SMILES OC=1CC(C)(C)CC(=O)C1C(c1ccc(N(=O)=O)cc1)C1C(=O)CC(C)(C)CC1=O
SPLASH splash10-0a59-9310000000-67e7bd8ad7eeb2079819
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany