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(2S,3R,4S)-4-Hydroxy-6-(4-methoxy-phenyl)-3-nitro-2,4-diphenyl-cyclohexane-1,1-dicarbonitrile
SpectraBase Compound ID Czz1FIRhH2R
InChI InChI=1S/C27H23N3O4/c1-34-22-14-12-19(13-15-22)23-16-27(31,21-10-6-3-7-11-21)25(30(32)33)24(26(23,17-28)18-29)20-8-4-2-5-9-20/h2-15,23-25,31H,16H2,1H3/t23?,24-,25-,27+/m1/s1
InChIKey DHBYMOZWFYBFBE-XZHPJYJPSA-N
Mol Weight 453.5 g/mol
Molecular Formula C27H23N3O4
Exact Mass 453.168856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdPYESpWlzd
Name (2S,3R,4S)-4-Hydroxy-6-(4-methoxy-phenyl)-3-nitro-2,4-diphenyl-cyclohexane-1,1-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23N3O4
InChI InChI=1S/C27H23N3O4/c1-34-22-14-12-19(13-15-22)23-16-27(31,21-10-6-3-7-11-21)25(30(32)33)24(26(23,17-28)18-29)20-8-4-2-5-9-20/h2-15,23-25,31H,16H2,1H3/t23?,24-,25-,27+/m1/s1
InChIKey DHBYMOZWFYBFBE-XZHPJYJPSA-N
Molecular Weight 453.498 g/mol
SMILES O[C@]1([C@@]([C@](C(C(c2ccc(cc2)OC)C1)(C#N)C#N)(c1ccccc1)[H])(N(=O)=O)[H])c1ccccc1
SPLASH splash10-0a59-2910000000-3b10cc9b10686d5ec1ce
Source of Spectrum F4-45-386-3h
Synonyms 4-Hydroxy-6-(4-methoxyphenyl)-3-nitro-2,4-diphenylcyclohexane-1,1-dicarbonitrile (2S,3R,4S)-4-hydroxy-6-(4-methoxyphenyl)-3-nitro-2,4-diphenylcyclohexane-1,1-dicarbonitrile
Wiley ID 1736998