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Benzoylacetonitrile
SpectraBase Compound ID 37wjT59YLXq
InChI InChI=1S/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2
InChIKey ZJRCIQAMTAINCB-UHFFFAOYSA-N
Mol Weight 145.16 g/mol
Molecular Formula C9H7NO
Exact Mass 145.052764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xWV90Y8Lfy
Name Benzenepropanenitrile, .beta.-oxo-
Alternate Name(s) .alpha.-Cyanoacetophenone .omega.-Cyanoacetophenone 2-Cyanoacetophenone 2-Cyanoacetyl phenone 3-keto-3-phenyl-propionitrile 3-Oxidanylidene-3-phenyl-propanenitrile 3-Oxo-3-phenyl-propanenitrile 3-Phenyl-3-ketopropionitrile Acetonitrile, benzoyl- Acetophenone, 2-cyano- Benzoylacetonitrile Cyanoacetophenone Cyanomethyl phenyl ketone Hydrocinnamonitrile, .beta.-oxo- Omega-cyanoacetophenone Phenacyl cyanide AI3-04364 EINECS 210-369-1 NSC 4713
CAS Registry Number 614-16-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO
InChI InChI=1S/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2
InChIKey ZJRCIQAMTAINCB-UHFFFAOYSA-N
Molecular Weight 145.161 g/mol
SMILES C(CC(=O)c1ccccc1)#N
SPLASH splash10-0a4i-7900000000-dba0de61b30beae63927
Source of Spectrum RB-1982-12159-0
Wiley ID 1143492