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1-(4-Chlorophenyl)-4-(2,4-dimethoxyphenyl)-4-oxobutanocarbonitrile
SpectraBase Compound ID BKqcIHAJ5n2
InChI InChI=1S/C18H16ClNO3/c1-22-15-7-8-16(18(10-15)23-2)17(21)9-13(11-20)12-3-5-14(19)6-4-12/h3-8,10,13H,9H2,1-2H3
InChIKey VGMMFNIISXDBKO-UHFFFAOYSA-N
Mol Weight 329.78 g/mol
Molecular Formula C18H16ClNO3
Exact Mass 329.081871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G6dwtoKNqya
Name 1-(4-Chlorophenyl)-4-(2,4-dimethoxyphenyl)-4-oxobutanocarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16ClNO3
InChI InChI=1S/C18H16ClNO3/c1-22-15-7-8-16(18(10-15)23-2)17(21)9-13(11-20)12-3-5-14(19)6-4-12/h3-8,10,13H,9H2,1-2H3
InChIKey VGMMFNIISXDBKO-UHFFFAOYSA-N
Molecular Weight 329.783 g/mol
SMILES c1(C(CC(C#N)c2ccc(cc2)Cl)=O)c(cc(cc1)OC)OC
SPLASH splash10-014i-0903000000-e143b28cc2a5424d0966
Source of Spectrum H1-53-1139-12
Synonyms 2-(4-Chlorophenyl)-4-(2,4-dimethoxyphenyl)-4-Oxo-butyronitrile 2-(4-Chlorophenyl)-4-(2,4-dimethoxyphenyl)-4-oxobutanenitrile
Wiley ID 817951