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4-[3'-Oxo-1'-(2"-oxocyclopentyl)-3'-(p-methoxyphenyl)propyl]-benzonitrile
SpectraBase Compound ID 2G3eXliJ7YJ
InChI InChI=1S/C22H21NO3/c1-26-18-11-9-17(10-12-18)22(25)13-20(19-3-2-4-21(19)24)16-7-5-15(14-23)6-8-16/h5-12,19-20H,2-4,13H2,1H3
InChIKey CWTGBOWAKQXYTO-UHFFFAOYSA-N
Mol Weight 347.41 g/mol
Molecular Formula C22H21NO3
Exact Mass 347.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E10UN85Ge44
Name 4-[3'-Oxo-1'-(2"-oxocyclopentyl)-3'-(p-methoxyphenyl)propyl]-benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO3
InChI InChI=1S/C22H21NO3/c1-26-18-11-9-17(10-12-18)22(25)13-20(19-3-2-4-21(19)24)16-7-5-15(14-23)6-8-16/h5-12,19-20H,2-4,13H2,1H3
InChIKey CWTGBOWAKQXYTO-UHFFFAOYSA-N
Molecular Weight 347.414 g/mol
SMILES C(CC(c1ccc(cc1)OC)=O)(C1C(=O)CCC1)c1ccc(C#N)cc1
SPLASH splash10-0f79-0900000000-53bb777f6d54d6dfdf76
Source of Spectrum H-2005-1842-4
Synonyms 4-[3-(4-methoxyphenyl)-3-oxo-1-(2-oxocyclopentyl)propyl]benzonitrile
Wiley ID 1562683