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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID PSke4AG9OU
Name 5-tert-butyl-1,3,3-trichloro-2-keto-cyclohexane-1-carboxylic acid methyl ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
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
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 315.624 g/mol
Source File Reference MHKO6417