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1-[1'-(3'',5''-Dimethylbenzoyl)-1'-phenylylmethylene]-3,5-dichlorocyclohex-2,5-dien-4-one
SpectraBase Compound ID KPc4ROt3bw5
InChI InChI=1S/C22H16Cl2O2/c1-13-8-14(2)10-17(9-13)21(25)20(15-6-4-3-5-7-15)16-11-18(23)22(26)19(24)12-16/h3-12H,1-2H3
InChIKey XWZZIWRTQHFBBM-UHFFFAOYSA-N
Mol Weight 383.27 g/mol
Molecular Formula C22H16Cl2O2
Exact Mass 382.052735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpqhqFaWnQE
Name 1-[1'-(3'',5''-Dimethylbenzoyl)-1'-phenylylmethylene]-3,5-dichlorocyclohex-2,5-dien-4-one
Alternate Name(s) 1'-(Phenyl)-1'-(3,5-dimethylbenzoyl)-1-methylene-3,5-dichlorocyclohexa-2,5-dien-4-one 2,6-Dichloro-4-[2-(3,5-dimethyl-phenyl)-2-oxo-1-phenyl-ethyl]-cyclohexa-2,5-dienone 2,6-dichloro-4-[2-(3,5-dimethylphenyl)-2-oxo-1-phenylethylidene]-2,5-cyclohexadien-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C22H16Cl2O2
InChI InChI=1S/C22H16Cl2O2/c1-13-8-14(2)10-17(9-13)21(25)20(15-6-4-3-5-7-15)16-11-18(23)22(26)19(24)12-16/h3-12H,1-2H3
InChIKey XWZZIWRTQHFBBM-UHFFFAOYSA-N
Molecular Weight 383.274 g/mol
SMILES C1(=C(C(c2cc(C)cc(c2)C)=O)c2ccccc2)C=C(C(=O)C(=C1)Cl)Cl
SPLASH splash10-0a59-0908000000-a57d49f04751a0da975d
Source of Spectrum C-120-394-1b
Wiley ID 1700017