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Methyl .alpha.-oxo-2-(2-methyl-1-propenyl)cyclohexaneacetate

View entire compound with spectra: 1 MS (GC)

Methyl .alpha.-oxo-2-(2-methyl-1-propenyl)cyclohexaneacetate
SpectraBase Compound ID BcswPkMLBgM
InChI InChI=1S/C13H20O3/c1-9(2)8-10-6-4-5-7-11(10)12(14)13(15)16-3/h8,10-11H,4-7H2,1-3H3/t10-,11-/m1/s1
InChIKey RNDLHTJALALJTE-GHMZBOCLSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GX3kanR6Ppr
Name Methyl .alpha.-oxo-2-(2-methyl-1-propenyl)cyclohexaneacetate
Alternate Name(s) (1R,2R) Methyl .alpha.-oxo-2-(2-methyl-1-propenyl)cyclohexaneacetate methyl[2-(2-methyl-1-propenyl)cyclohexyl](oxo)acetate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-9(2)8-10-6-4-5-7-11(10)12(14)13(15)16-3/h8,10-11H,4-7H2,1-3H3/t10-,11-/m1/s1
InChIKey RNDLHTJALALJTE-GHMZBOCLSA-N
Molecular Weight 224.300 g/mol
SMILES C([C@]1([C@@](C=C(C)C)(CCCC1)[H])[H])(C(=O)OC)=O
SPLASH splash10-014i-9020000000-54087c42e88e329ac8ea
Source of Spectrum AJ-67-295-11
Wiley ID 772545