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(1S,2R)-2-(2-keto-4-methyl-pentyl)cyclopentanecarboxylic acid methyl ester
SpectraBase Compound ID FBSDLi02blH
InChI InChI=1S/C13H22O3/c1-9(2)7-11(14)8-10-5-4-6-12(10)13(15)16-3/h9-10,12H,4-8H2,1-3H3/t10-,12+/m1/s1
InChIKey DXSMDASCTIKRRT-PWSUYJOCSA-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 4x1iqZb6gCc
Name (1S,2R)-2-(2-keto-4-methyl-pentyl)cyclopentanecarboxylic acid methyl ester
Alternate Name(s) (1S,2R)-2-(4-methyl-2-oxopentyl)-1-cyclopentanecarboxylic acid methyl ester Methyl (1S,2R)-2-(4-methyl-2-oxidanylidene-pentyl)cyclopentane-1-carboxylate Methyl (1S,2R)-2-(4-methyl-2-oxo-pentyl)cyclopentanecarboxylate Methyl (1S,2R)-2-(4-methyl-2-oxopentyl)cyclopentane-1-carboxylate
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Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-9(2)7-11(14)8-10-5-4-6-12(10)13(15)16-3/h9-10,12H,4-8H2,1-3H3/t10-,12+/m1/s1
InChIKey DXSMDASCTIKRRT-PWSUYJOCSA-N
Molecular Weight 226.316 g/mol
SMILES C([C@@]1([C@@](CC(=O)CC(C)C)(CCC1)[H])[H])(=O)OC
SPLASH splash10-0a4r-9200000000-88df923775647b479fe4
Source of Spectrum K-126-1936-4
Wiley ID 1227634