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trans, cis-2,6-bis(4-acetonitrilephenyl)-3-ethyl-1-phenylpiperidin-4-one
SpectraBase Compound ID KGV9K4LTSGN
InChI InChI=1S/C27H23N3O/c1-2-24-26(31)16-25(21-12-8-19(17-28)9-13-21)30(23-6-4-3-5-7-23)27(24)22-14-10-20(18-29)11-15-22/h3-15,24-25,27H,2,16H2,1H3/t24-,25+,27+/m0/s1
InChIKey KVSWSUYOOYEIGL-ZWEKWIFMSA-N
Mol Weight 405.5 g/mol
Molecular Formula C27H23N3O
Exact Mass 405.184112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CuX0MQljE5G
Name trans, cis-2,6-bis(4-acetonitrilephenyl)-3-ethyl-1-phenylpiperidin-4-one
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Formula C27H23N3O
InChI InChI=1S/C27H23N3O/c1-2-24-26(31)16-25(21-12-8-19(17-28)9-13-21)30(23-6-4-3-5-7-23)27(24)22-14-10-20(18-29)11-15-22/h3-15,24-25,27H,2,16H2,1H3/t24-,25+,27+/m0/s1
InChIKey KVSWSUYOOYEIGL-ZWEKWIFMSA-N
Literature Reference DOI 10.1002/adsc.201000760
Molecular Weight 405.501 g/mol
SMILES [C@@]1(N([C@@]([C@](C(C1)=O)(CC)[H])(c1ccc(cc1)C#N)[H])c1ccccc1)(c1ccc(cc1)C#N)[H]
SPLASH splash10-052f-9140000000-dddb7deb68a9d0d19c51
Source of Spectrum ASC-353-315/SM8-3n
Synonyms 4,4'-((2S,3R,6R)-3-ethyl-4-oxo-1-phenylpiperidine-2,6-diyl)dibenzonitrile
Wiley ID 1764719