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(2S,3R,4R)-2-(4-Bromo-phenyl)-4-hydroxy-3-nitro-4,6-diphenyl-cyclohexane-1,1-dicarbonitrile
SpectraBase Compound ID DFyAUmWxYLr
InChI InChI=1S/C26H20BrN3O3/c27-21-13-11-19(12-14-21)23-24(30(32)33)26(31,20-9-5-2-6-10-20)15-22(25(23,16-28)17-29)18-7-3-1-4-8-18/h1-14,22-24,31H,15H2/t22?,23-,24-,26-/m1/s1
InChIKey OXGZQRYTUJRRBZ-RBQFJJEPSA-N
Mol Weight 502.37 g/mol
Molecular Formula C26H20BrN3O3
Exact Mass 501.068805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13DT5Hbex8p
Name (2S,3R,4R)-2-(4-Bromo-phenyl)-4-hydroxy-3-nitro-4,6-diphenyl-cyclohexane-1,1-dicarbonitrile
Alternate Name(s) 2-(4-Bromophenyl)-4-hydroxy-3-nitro-4,6-diphenylcyclohexane-1,1-dicarbonitrile (2S,3R,4R)-2-(4-bromophenyl)-4-hydroxy-3-nitro-4,6-diphenylcyclohexane-1,1-dicarbonitrile
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Formula C26H20BrN3O3
InChI InChI=1S/C26H20BrN3O3/c27-21-13-11-19(12-14-21)23-24(30(32)33)26(31,20-9-5-2-6-10-20)15-22(25(23,16-28)17-29)18-7-3-1-4-8-18/h1-14,22-24,31H,15H2/t22?,23-,24-,26-/m1/s1
InChIKey OXGZQRYTUJRRBZ-RBQFJJEPSA-N
Molecular Weight 502.368 g/mol
SMILES O[C@@]1([C@@]([C@](C(C(c2ccccc2)C1)(C#N)C#N)(c1ccc(cc1)Br)[H])(N(=O)=O)[H])c1ccccc1
SPLASH splash10-0a4i-1910000000-b4e8a7f70c20e4044567
Source of Spectrum F4-45-386-3d
Wiley ID 1737002