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3-(4-Cyanophenyl)-2-cyclohexen-1-one
SpectraBase Compound ID 4plXt0syVRz
InChI InChI=1S/C13H11NO/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(15)8-12/h4-8H,1-3H2
InChIKey WOUZSJJBQYTGEB-UHFFFAOYSA-N
Mol Weight 197.24 g/mol
Molecular Formula C13H11NO
Exact Mass 197.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1FCc7TeoKm
Name 3-(4-Cyanophenyl)-2-cyclohexen-1-one
Alternate Name(s) 5'-oxo-2',3',4',5'-tetrahydro-[1,1'-biphenyl]-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11NO
InChI InChI=1S/C13H11NO/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(15)8-12/h4-8H,1-3H2
InChIKey WOUZSJJBQYTGEB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201302058
Molecular Weight 197.237 g/mol
SMILES C1C(C=C(CC1)c1ccc(cc1)C#N)=O
SPLASH splash10-00kf-0900000000-1b9d3acb86028f6e51f0
Source of Spectrum ACI-52-SMS11-4h
Wiley ID 1781435