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beta-BENZOYLHYDRATROPONITRILE
SpectraBase Compound ID AHb1pPFXV1v
InChI InChI=1S/C16H13NO/c17-12-15(13-7-3-1-4-8-13)11-16(18)14-9-5-2-6-10-14/h1-10,15H,11H2
InChIKey JRWUFQJVJGKCCT-UHFFFAOYSA-N
Mol Weight 235.29 g/mol
Molecular Formula C16H13NO
Exact Mass 235.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YVgFCoYNJZ
Name 4-Oxo-2,4-diphenylbutanenitrile
Alternate Name(s) 4-keto-2,4-diphenyl-butyronitrile 4-Oxidanylidene-2,4-diphenyl-butanenitrile 4-Oxo-2,4-diphenyl-butyronitrile Benzenebutanenitrile, .gamma.-oxo-.alpha.-phenyl- BRN 0649013 EINECS 228-440-0
CAS Registry Number 6268-00-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO
InChI InChI=1S/C16H13NO/c17-12-15(13-7-3-1-4-8-13)11-16(18)14-9-5-2-6-10-14/h1-10,15H,11H2
InChIKey JRWUFQJVJGKCCT-UHFFFAOYSA-N
Molecular Weight 235.286 g/mol
SMILES c1ccc(C(CC(=O)c2ccccc2)C#N)cc1
SPLASH splash10-0a6u-9820000000-4b60291ec62aa9f014be
Wiley ID 1456568