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(S)-4-Cyano-4-(3,4-dichlorophenyl)-cyclohex-2-enone
SpectraBase Compound ID Cpu9pktMEVC
InChI InChI=1S/C13H9Cl2NO/c14-11-2-1-9(7-12(11)15)13(8-16)5-3-10(17)4-6-13/h1-3,5,7H,4,6H2/t13-/m0/s1
InChIKey SCMXGAQOSHPEJH-ZDUSSCGKSA-N
Mol Weight 266.13 g/mol
Molecular Formula C13H9Cl2NO
Exact Mass 265.006119 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWXi2zLyieZ
Name (S)-4-Cyano-4-(3,4-dichlorophenyl)-cyclohex-2-enone
Alternate Name(s) (1S)-1-(3,4-dichlorophenyl)-4-oxo-2-cyclohexene-1-carbonitrile 4-Cyano-4-(3,4-dichlorophenyl)-2-phenylselenylcyclohex-2-enone
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Formula C13H9Cl2NO
InChI InChI=1S/C13H9Cl2NO/c14-11-2-1-9(7-12(11)15)13(8-16)5-3-10(17)4-6-13/h1-3,5,7H,4,6H2/t13-/m0/s1
InChIKey SCMXGAQOSHPEJH-ZDUSSCGKSA-N
Molecular Weight 266.127 g/mol
SMILES [C@]1(C=CC(CC1)=O)(c1cc(Cl)c(cc1)Cl)C#N
SPLASH splash10-00ri-0390000000-4369c93d314b6771548a
Source of Spectrum KC-57-8198-8
Wiley ID 1625969