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(1S,2R,6R)-2-tert-butyl-4-keto-6-methyl-cyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID LveFNuGFqRJ
InChI InChI=1S/C13H22O3/c1-8-6-9(14)7-10(13(2,3)4)11(8)12(15)16-5/h8,10-11H,6-7H2,1-5H3/t8-,10-,11+/m1/s1
InChIKey KFCZKKRRDDSMOP-IEBDPFPHSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EhV6U0bxyyl
Name (1S,2R,6R)-2-tert-butyl-4-keto-6-methyl-cyclohexanecarboxylic acid methyl ester
Alternate Name(s) (1S,2R,6R)-2-tert-butyl-6-methyl-4-oxo-1-cyclohexanecarboxylic acid methyl ester Methyl (1S,2R,6R)-2-tert-butyl-6-methyl-4-oxidanylidene-cyclohexane-1-carboxylate Methyl (1S,2R,6R)-2-tert-butyl-6-methyl-4-oxo-cyclohexanecarboxylate Methyl (1S,2R,6R)-2-tert-butyl-6-methyl-4-oxocyclohexane-1-carboxylate
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Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-8-6-9(14)7-10(13(2,3)4)11(8)12(15)16-5/h8,10-11H,6-7H2,1-5H3/t8-,10-,11+/m1/s1
InChIKey KFCZKKRRDDSMOP-IEBDPFPHSA-N
Molecular Weight 226.316 g/mol
SMILES [C@]1([C@]([C@](C)(CC(C1)=O)[H])(C(=O)OC)[H])(C(C)(C)C)[H]
SPLASH splash10-014i-0910000000-df17e908a7716a13d509
Source of Spectrum AJ-64-2998-5
Wiley ID 1227621