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(E)-1,4-Dichloro-7-cyano-3-hepten-2-one
SpectraBase Compound ID EeDQBqyG0zV
InChI InChI=1S/C8H9Cl2NO/c9-6-8(12)5-7(10)3-1-2-4-11/h5H,1-3,6H2/b7-5+
InChIKey HRZVZARRRXIBTA-FNORWQNLSA-N
Mol Weight 206.07 g/mol
Molecular Formula C8H9Cl2NO
Exact Mass 205.006119 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1NQwbYu5925
Name (E)-1,4-Dichloro-7-cyano-3-hepten-2-one
Alternate Name(s) (E)-5,8-dichloro-7-oxooct-5-enenitrile (E)-5,8-dichloro-7-oxo-5-octenenitrile (E)-5,8-dichloro-7-oxo-oct-5-enenitrile (E)-5,8-bis(chloranyl)-7-oxidanylidene-oct-5-enenitrile
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Formula C8H9Cl2NO
InChI InChI=1S/C8H9Cl2NO/c9-6-8(12)5-7(10)3-1-2-4-11/h5H,1-3,6H2/b7-5+
InChIKey HRZVZARRRXIBTA-FNORWQNLSA-N
Literature Reference DOI 10.1021/ol802260w
Molecular Weight 206.072 g/mol
SMILES C(CCC#N)\C(=C/C(CCl)=O)Cl
SPLASH splash10-05fr-1900000000-a36fc655a97ab5da4c4f
Source of Spectrum A1-10-5469/SMS8-(E)_3aE
Wiley ID 1760050