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5-tert-butyl-1,3,3-trichloro-2-keto-cyclohexane-1-carboxylic acid methyl ester
SpectraBase Compound ID LIoyXEIkku0
InChI InChI=1S/C12H17Cl3O3/c1-10(2,3)7-5-11(13,9(17)18-4)8(16)12(14,15)6-7/h7H,5-6H2,1-4H3
InChIKey APVPPHYNNFBVOI-UHFFFAOYSA-N
Mol Weight 315.62 g/mol
Molecular Formula C12H17Cl3O3
Exact Mass 314.024328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 810qsCWn43x
Name Methyl 5-tert-butyl-1,3,3-trichloro-2-oxocyclohexane-1-carboxylate
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Formula C12H17Cl3O3
InChI InChI=1S/C12H17Cl3O3/c1-10(2,3)7-5-11(13,9(17)18-4)8(16)12(14,15)6-7/h7H,5-6H2,1-4H3
InChIKey APVPPHYNNFBVOI-UHFFFAOYSA-N
Molecular Weight 315.624 g/mol
SMILES C1(C(C(CC(C1)C(C)(C)C)(Cl)Cl)=O)(C(=O)OC)Cl
SPLASH splash10-0a4i-9110000000-cb551fcf1e2d79b83e7d
Source of Spectrum KC-57-7691-5
Synonyms 5-tert-Butyl-1,3,3-trichloro-2-keto-cyclohexanecarboxylic acid methyl ester 5-tert-Butyl-1,3,3-trichloro-2-oxo-1-cyclohexanecarboxylic acid methyl ester Methyl 5-tert-butyl-1,3,3-trichloro-2-oxo-cyclohexanecarboxylate Methyl 5-tert-butyl-1,3,3-tris(chloranyl)-2-oxidanylidene-cyclohexane-1-carboxylate
Wiley ID 1625549