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(2S,3R,4R)-4-Hydroxy-3-nitro-4,6-diphenyl-2-p-tolyl-cyclohexane-1,1-dicarbonitrile
SpectraBase Compound ID 95OSBNyza0h
InChI InChI=1S/C27H23N3O3/c1-19-12-14-21(15-13-19)24-25(30(32)33)27(31,22-10-6-3-7-11-22)16-23(26(24,17-28)18-29)20-8-4-2-5-9-20/h2-15,23-25,31H,16H2,1H3/t23?,24-,25-,27-/m1/s1
InChIKey HSBBJLMDFYVGAK-VKLGIEGMSA-N
Mol Weight 437.5 g/mol
Molecular Formula C27H23N3O3
Exact Mass 437.173942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4npUub3eP9x
Name (2S,3R,4R)-4-Hydroxy-3-nitro-4,6-diphenyl-2-p-tolyl-cyclohexane-1,1-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23N3O3
InChI InChI=1S/C27H23N3O3/c1-19-12-14-21(15-13-19)24-25(30(32)33)27(31,22-10-6-3-7-11-22)16-23(26(24,17-28)18-29)20-8-4-2-5-9-20/h2-15,23-25,31H,16H2,1H3/t23?,24-,25-,27-/m1/s1
InChIKey HSBBJLMDFYVGAK-VKLGIEGMSA-N
Molecular Weight 437.499 g/mol
SMILES O[C@@]1([C@@]([C@](C(C(c2ccccc2)C1)(C#N)C#N)(c1ccc(cc1)C)[H])(N(=O)=O)[H])c1ccccc1
SPLASH splash10-0a6r-1900000000-d4308df93eaf324e8b75
Source of Spectrum F4-45-385-3b
Synonyms 4-Hydroxy-3-nitro-4,6-diphenyl-2-(4-tolyl)cyclohexane-1,1-dicarbonitrile (2S,3R,4R)-4-hydroxy-3-nitro-4,6-diphenyl-2-(p-tolyl)cyclohexane-1,1-dicarbonitrile
Wiley ID 1737004