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4-(2,5-Diketohexyl)benzonitrile
SpectraBase Compound ID CWbbdlJugAX
InChI InChI=1S/C13H13NO2/c1-10(15)2-7-13(16)8-11-3-5-12(9-14)6-4-11/h3-6H,2,7-8H2,1H3
InChIKey YYHIGFJBOSZQGU-UHFFFAOYSA-N
Mol Weight 215.25 g/mol
Molecular Formula C13H13NO2
Exact Mass 215.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmZ8zxiL6OT
Name 4-(2,5-Diketohexyl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO2
InChI InChI=1S/C13H13NO2/c1-10(15)2-7-13(16)8-11-3-5-12(9-14)6-4-11/h3-6H,2,7-8H2,1H3
InChIKey YYHIGFJBOSZQGU-UHFFFAOYSA-N
Molecular Weight 215.252 g/mol
SMILES C(C(CCC(C)=O)=O)c1ccc(cc1)C#N
SPLASH splash10-0002-9100000000-329c78cef47831c82391
Source of Spectrum F-69-912-3
Synonyms 4-(2,5-Dioxohexyl)benzonitrile 4-[2,5-Bis(oxidanylidene)hexyl]benzenecarbonitrile
Wiley ID 1594652