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4-(2-Oxo-2-phenylacetyl)benzonitrile
SpectraBase Compound ID FlHLx0H9Utz
InChI InChI=1S/C15H9NO2/c16-10-11-6-8-13(9-7-11)15(18)14(17)12-4-2-1-3-5-12/h1-9H
InChIKey DKNOAYCOBHPKJY-UHFFFAOYSA-N
Mol Weight 235.24 g/mol
Molecular Formula C15H9NO2
Exact Mass 235.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iepkk9BVFLw
Name 4-(2-Oxo-2-phenylacetyl)benzonitrile
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.063328532 u
Formula C15H9NO2
InChI InChI=1S/C15H9NO2/c16-10-11-6-8-13(9-7-11)15(18)14(17)12-4-2-1-3-5-12/h1-9H
InChIKey DKNOAYCOBHPKJY-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010S
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900783
Molecular Weight 235.242 g/mol
Quality 87
SMILES C(=O)(C(=O)C1=CC=C(C=C1)C#N)C1=CC=CC=C1
SPLASH splash10-0a4i-5900000000-4630d70e4122de762364
Source of Spectrum K1-2019-SM8-3c (DOI: 10.1002/ejoc.201900783)
Wiley ID 1892093