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(2S,3R,4S)-4-Hydroxy-3-nitro-2,4-diphenyl-cyclohexane-1,1-dicarbonitrile
SpectraBase Compound ID A7Vyrf0175v
InChI InChI=1S/C20H17N3O3/c21-13-19(14-22)11-12-20(24,16-9-5-2-6-10-16)18(23(25)26)17(19)15-7-3-1-4-8-15/h1-10,17-18,24H,11-12H2/t17-,18-,20+/m1/s1
InChIKey KDOWTNAGCJFADT-GGPKGHCWSA-N
Mol Weight 347.37 g/mol
Molecular Formula C20H17N3O3
Exact Mass 347.126991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FUAerHeH342
Name (2S,3R,4S)-4-Hydroxy-3-nitro-2,4-diphenyl-cyclohexane-1,1-dicarbonitrile
Alternate Name(s) 4-Hydroxy-3-nitro-2,4-diphenylcyclohexane-1,1-dicarbonitrile (2S,3R,4S)-4-hydroxy-3-nitro-2,4-diphenylcyclohexane-1,1-dicarbonitrile
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Formula C20H17N3O3
InChI InChI=1S/C20H17N3O3/c21-13-19(14-22)11-12-20(24,16-9-5-2-6-10-16)18(23(25)26)17(19)15-7-3-1-4-8-15/h1-10,17-18,24H,11-12H2/t17-,18-,20+/m1/s1
InChIKey KDOWTNAGCJFADT-GGPKGHCWSA-N
Molecular Weight 347.374 g/mol
SMILES O[C@]1([C@](N(=O)=O)([C@](C(C#N)(C#N)CC1)(c1ccccc1)[H])[H])c1ccccc1
SPLASH splash10-0a4i-2900000000-5502e6723d46eefb9167
Source of Spectrum F4-45-387-3l
Wiley ID 1736994