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2-(4-Cyanophenyl)-4-phenyl-1-(2-pyrrolyl)butane-1,4-dione
SpectraBase Compound ID 6lxlNl6A3QM
InChI InChI=1S/C21H16N2O2/c22-14-15-8-10-16(11-9-15)18(21(25)19-7-4-12-23-19)13-20(24)17-5-2-1-3-6-17/h1-12,18,23H,13H2
InChIKey CHCSORHFMPLDTO-UHFFFAOYSA-N
Mol Weight 328.37 g/mol
Molecular Formula C21H16N2O2
Exact Mass 328.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KUIE3jaZ0va
Name 2-(4-Cyanophenyl)-4-phenyl-1-(2-pyrrolyl)butane-1,4-dione
Alternate Name(s) 4-[3-oxo-3-phenyl-1-(1H-pyrrol-2-ylcarbonyl)propyl]benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N2O2
InChI InChI=1S/C21H16N2O2/c22-14-15-8-10-16(11-9-15)18(21(25)19-7-4-12-23-19)13-20(24)17-5-2-1-3-6-17/h1-12,18,23H,13H2
InChIKey CHCSORHFMPLDTO-UHFFFAOYSA-N
Molecular Weight 328.371 g/mol
SMILES [nH]1cccc1C(C(CC(=O)c1ccccc1)c1ccc(cc1)C#N)=O
SPLASH splash10-002f-9106000000-3f8f21812af99604a74c
Source of Spectrum CV-2004-2400-5
Wiley ID 1611588