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4-[3-oxo-1-(2-oxocyclohexyl)-3-phenylpropyl]benzonitrile
SpectraBase Compound ID 8n13IsMxYWv
InChI InChI=1S/C22H21NO2/c23-15-16-10-12-17(13-11-16)20(19-8-4-5-9-21(19)24)14-22(25)18-6-2-1-3-7-18/h1-3,6-7,10-13,19-20H,4-5,8-9,14H2
InChIKey DIRFYXGQMIODMD-UHFFFAOYSA-N
Mol Weight 331.42 g/mol
Molecular Formula C22H21NO2
Exact Mass 331.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHdgqqykoiv
Name 4-[3-oxo-1-(2-oxocyclohexyl)-3-phenylpropyl]benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO2
InChI InChI=1S/C22H21NO2/c23-15-16-10-12-17(13-11-16)20(19-8-4-5-9-21(19)24)14-22(25)18-6-2-1-3-7-18/h1-3,6-7,10-13,19-20H,4-5,8-9,14H2
InChIKey DIRFYXGQMIODMD-UHFFFAOYSA-N
Molecular Weight 331.415 g/mol
SMILES C(CC(=O)c1ccccc1)(C1C(=O)CCCC1)c1ccc(C#N)cc1
SPLASH splash10-0759-1970000000-8a5b798a6b859a58c385
Source of Spectrum H-2005-1843-4
Synonyms 4-[3-oxo-1-(2-oxocyclohexyl)-3-phenyl-propyl]benzonitrile 4-[3-oxidanylidene-1-(2-oxidanylidenecyclohexyl)-3-phenyl-propyl]benzenecarbonitrile
Wiley ID 1562680