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4-[3'-Oxo-1'-(2"-oxocyclopentyl)-3'-phenylpropyl]-benzonitrile
SpectraBase Compound ID AzPBJDCBkbz
InChI InChI=1S/C21H19NO2/c22-14-15-9-11-16(12-10-15)19(18-7-4-8-20(18)23)13-21(24)17-5-2-1-3-6-17/h1-3,5-6,9-12,18-19H,4,7-8,13H2
InChIKey GJLAAQGNSDBSIK-UHFFFAOYSA-N
Mol Weight 317.39 g/mol
Molecular Formula C21H19NO2
Exact Mass 317.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 27npwR2bqq
Name 4-[3'-Oxo-1'-(2"-oxocyclopentyl)-3'-phenylpropyl]-benzonitrile
Alternate Name(s) 4-[3-oxo-1-(2-oxocyclopentyl)-3-phenylpropyl]benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO2
InChI InChI=1S/C21H19NO2/c22-14-15-9-11-16(12-10-15)19(18-7-4-8-20(18)23)13-21(24)17-5-2-1-3-6-17/h1-3,5-6,9-12,18-19H,4,7-8,13H2
InChIKey GJLAAQGNSDBSIK-UHFFFAOYSA-N
Molecular Weight 317.388 g/mol
SMILES C(CC(=O)c1ccccc1)(C1C(=O)CCC1)c1ccc(C#N)cc1
SPLASH splash10-05fr-1900000000-aad36bb3e29bd5d443aa
Source of Spectrum H-2005-1842-4
Wiley ID 1562684