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(2S,3R,4R)-4-Hydroxy-3-nitro-2,4,6-triphenyl-cyclohexane-1,1-dicarbonitrile
SpectraBase Compound ID GCAyHsPjnc5
InChI InChI=1S/C26H21N3O3/c27-17-25(18-28)22(19-10-4-1-5-11-19)16-26(30,21-14-8-3-9-15-21)24(29(31)32)23(25)20-12-6-2-7-13-20/h1-15,22-24,30H,16H2/t22?,23-,24-,26-/m1/s1
InChIKey JJCBCUPYFKLKFB-RBQFJJEPSA-N
Mol Weight 423.47 g/mol
Molecular Formula C26H21N3O3
Exact Mass 423.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ehan4qkgd1w
Name (2S,3R,4R)-4-Hydroxy-3-nitro-2,4,6-triphenyl-cyclohexane-1,1-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21N3O3
InChI InChI=1S/C26H21N3O3/c27-17-25(18-28)22(19-10-4-1-5-11-19)16-26(30,21-14-8-3-9-15-21)24(29(31)32)23(25)20-12-6-2-7-13-20/h1-15,22-24,30H,16H2/t22?,23-,24-,26-/m1/s1
InChIKey JJCBCUPYFKLKFB-RBQFJJEPSA-N
Molecular Weight 423.472 g/mol
SMILES O[C@@]1([C@@]([C@](C(C(c2ccccc2)C1)(C#N)C#N)(c1ccccc1)[H])(N(=O)=O)[H])c1ccccc1
SPLASH splash10-0a6r-2900000000-2ce53f5cdebf2cafb8d1
Source of Spectrum F4-45-385-3a
Synonyms 4-Hydroxy-3-nitro-2,4,6-triphenylcyclohexane-1,1-dicarbonitrile (2S,3R,4R)-4-hydroxy-3-nitro-2,4,6-triphenylcyclohexane-1,1-dicarbonitrile
Wiley ID 1737005