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3-(4-Cyanophenyl)cyclohexanone
SpectraBase Compound ID 4wmbAgJwiim
InChI InChI=1S/C13H13NO/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(15)8-12/h4-7,12H,1-3,8H2
InChIKey YERDBWDYWNZYDJ-UHFFFAOYSA-N
Mol Weight 199.25 g/mol
Molecular Formula C13H13NO
Exact Mass 199.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AM7kbuhObdf
Name 3-(4-Cyanophenyl)cyclohexanone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO
InChI InChI=1S/C13H13NO/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(15)8-12/h4-7,12H,1-3,8H2
InChIKey YERDBWDYWNZYDJ-UHFFFAOYSA-N
Molecular Weight 199.253 g/mol
SMILES C(#N)c1ccc(C2CC(=O)CCC2)cc1
SPLASH splash10-0a4m-0900000000-d7e3146669c2471b6dfd
Source of Spectrum F-52-7215-12
Synonyms 4-(3-Ketocyclohexyl)benzonitrile 4-(3-Oxidanylidenecyclohexyl)benzenecarbonitrile 4-(3-Oxocyclohexyl)benzonitrile
Wiley ID 796644