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(+/-)-(4bS,8aR,10aS)-4b,8,8,10a-Tetramethyl-3,7-dioxo-3,4b,7,8,8a,9,10,10a-octahydrophenanthrene-2,6-dicarbonitrile
SpectraBase Compound ID 6COtmZVVycv
InChI InChI=1S/C20H20N2O2/c1-18(2)15-5-6-19(3)8-12(10-21)14(23)7-16(19)20(15,4)9-13(11-22)17(18)24/h7-9,15H,5-6H2,1-4H3/t15-,19-,20-/m0/s1
InChIKey BQDNSKXHOWSOHH-YSSFQJQWSA-N
Mol Weight 320.39 g/mol
Molecular Formula C20H20N2O2
Exact Mass 320.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10jZtmlTl3n
Name (+/-)-(4bS,8aR,10aS)-4b,8,8,10a-Tetramethyl-3,7-dioxo-3,4b,7,8,8a,9,10,10a-octahydrophenanthrene-2,6-dicarbonitrile
Appearance Crystalline solid
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Formula C20H20N2O2
InChI InChI=1S/C20H20N2O2/c1-18(2)15-5-6-19(3)8-12(10-21)14(23)7-16(19)20(15,4)9-13(11-22)17(18)24/h7-9,15H,5-6H2,1-4H3/t15-,19-,20-/m0/s1
InChIKey BQDNSKXHOWSOHH-YSSFQJQWSA-N
Instrument Name Micromass 70-VSE
Ionization Type EI
Literature Reference DOI 10.1021/jm101445p
Molecular Weight 320.392 g/mol
Reported Formula C20H20N2O2
SMILES C=1(C(C([C@]2([C@](C1)(C=1[C@@](CC2)(C=C(C(C1)=O)C#N)C)C)[H])(C)C)=O)C#N
SPLASH splash10-00b9-0594000000-8d7c1cf723c4228cbd4a
Source of Spectrum AF-54-SM36-9
Wiley ID 1848795