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Propanedinitrile, 1-[1-(1-cyclopentenyl)-cyclopenten-3-one]
SpectraBase Compound ID Lqxcf2ogiBF
InChI InChI=1S/C13H12N2O/c14-7-10(8-15)13-11(5-6-12(13)16)9-3-1-2-4-9/h3,10H,1-2,4-6H2
InChIKey XNWOMAQUCAOWKJ-UHFFFAOYSA-N
Mol Weight 212.25 g/mol
Molecular Formula C13H12N2O
Exact Mass 212.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSyoocn2Th8
Name Propanedinitrile, 1-[1-(1-cyclopentenyl)-cyclopenten-3-one]
Alternate Name(s) 2-[2-(1-cyclopentenyl)-5-oxo-1-cyclopentenyl]propanedinitrile 2-[2-(cyclopenten-1-yl)-5-keto-cyclopenten-1-yl]malononitrile 2-[2-(cyclopenten-1-yl)-5-oxidanylidene-cyclopenten-1-yl]propanedinitrile 2-[2-(cyclopenten-1-yl)-5-oxo-cyclopenten-1-yl]propanedinitrile
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Formula C13H12N2O
InChI InChI=1S/C13H12N2O/c14-7-10(8-15)13-11(5-6-12(13)16)9-3-1-2-4-9/h3,10H,1-2,4-6H2
InChIKey XNWOMAQUCAOWKJ-UHFFFAOYSA-N
Molecular Weight 212.252 g/mol
SMILES C(#N)C(C=1C(CCC1C=1CCCC1)=O)C#N
SPLASH splash10-01ox-5910000000-99d6d25091fde9cd4c98
Wiley ID 1491730