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trans, cis-2,6-bis(4-acetonitrilephenyl)-3-methyl-1-phenylpiperidin-4-one
SpectraBase Compound ID CcyULS5u8fl
InChI InChI=1S/C26H21N3O/c1-18-25(30)15-24(21-11-7-19(16-27)8-12-21)29(23-5-3-2-4-6-23)26(18)22-13-9-20(17-28)10-14-22/h2-14,18,24,26H,15H2,1H3/t18-,24+,26-/m0/s1
InChIKey FQFPDADXYJHZKO-FODJJAHYSA-N
Mol Weight 391.47 g/mol
Molecular Formula C26H21N3O
Exact Mass 391.168462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J9ATZBplOyu
Name trans, cis-2,6-bis(4-acetonitrilephenyl)-3-methyl-1-phenylpiperidin-4-one
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Formula C26H21N3O
InChI InChI=1S/C26H21N3O/c1-18-25(30)15-24(21-11-7-19(16-27)8-12-21)29(23-5-3-2-4-6-23)26(18)22-13-9-20(17-28)10-14-22/h2-14,18,24,26H,15H2,1H3/t18-,24+,26-/m0/s1
InChIKey FQFPDADXYJHZKO-FODJJAHYSA-N
Literature Reference DOI 10.1002/adsc.201000760
Molecular Weight 391.474 g/mol
SMILES [C@@]1(N([C@@]([C@](C(C1)=O)(C)[H])(c1ccc(cc1)C#N)[H])c1ccccc1)(c1ccc(cc1)C#N)[H]
SPLASH splash10-052f-9010000000-ecea1d56501aec6384d2
Source of Spectrum ASC-353-315/SM8-3m
Synonyms 4,4'-((2S,3R,6R)-3-methyl-4-oxo-1-phenylpiperidine-2,6-diyl)dibenzonitrile 4-[(2R,5R,6S)-6-(4-cyanophenyl)-5-methyl-4-oxo-1-phenyl-2-piperidinyl]benzonitrile 4-[(2R,5R,6S)-6-(4-cyanophenyl)-5-methyl-4-oxo-1-phenylpiperidin-2-yl]benzonitrile 4-[(2R,5R,6S)-6-(4-cyanophenyl)-5-methyl-4-oxo-1-phenyl-2-piperidyl]benzonitrile 4-[(2R,5R,6S)-6-(4-cyanophenyl)-5-methyl-4-oxidanylidene-1-phenyl-piperidin-2-yl]benzenecarbonitrile
Wiley ID 1764718