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4-[3'-Oxo-3'-(p-methoxyphenyl)-1'-(2"-oxocyclohexyl)propyl]-benzonitrile
SpectraBase Compound ID CsCmGHk7myY
InChI InChI=1S/C23H23NO3/c1-27-19-12-10-18(11-13-19)23(26)14-21(20-4-2-3-5-22(20)25)17-8-6-16(15-24)7-9-17/h6-13,20-21H,2-5,14H2,1H3
InChIKey LXIBQFYQAIPEPB-UHFFFAOYSA-N
Mol Weight 361.44 g/mol
Molecular Formula C23H23NO3
Exact Mass 361.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXGtzwx0HDT
Name 4-[3'-Oxo-3'-(p-methoxyphenyl)-1'-(2"-oxocyclohexyl)propyl]-benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23NO3
InChI InChI=1S/C23H23NO3/c1-27-19-12-10-18(11-13-19)23(26)14-21(20-4-2-3-5-22(20)25)17-8-6-16(15-24)7-9-17/h6-13,20-21H,2-5,14H2,1H3
InChIKey LXIBQFYQAIPEPB-UHFFFAOYSA-N
Molecular Weight 361.441 g/mol
SMILES C(CC(c1ccc(cc1)OC)=O)(C1C(=O)CCCC1)c1ccc(C#N)cc1
SPLASH splash10-0gw0-1930000000-200d1cb5b2c975ab5727
Source of Spectrum H-2005-1843-4
Synonyms 4-[3-(4-methoxyphenyl)-3-oxo-1-(2-oxocyclohexyl)propyl]benzonitrile
Wiley ID 1562679