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2-(2-ketohexyl)cyclopentene-1-carboxylic acid methyl ester
SpectraBase Compound ID JzgPkiSbfOF
InChI InChI=1S/C13H20O3/c1-3-4-7-11(14)9-10-6-5-8-12(10)13(15)16-2/h3-9H2,1-2H3
InChIKey NVFPPGYZJOCKTJ-UHFFFAOYSA-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 5xMzM00E95o
Name 2-(2-ketohexyl)cyclopentene-1-carboxylic acid methyl ester
Alternate Name(s) 2-(2-oxohexyl)-1-cyclopentenecarboxylic acid methyl ester Methyl 2-(2-oxidanylidenehexyl)cyclopentene-1-carboxylate Methyl 2-(2-oxohexyl)cyclopentene-1-carboxylate
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Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-3-4-7-11(14)9-10-6-5-8-12(10)13(15)16-2/h3-9H2,1-2H3
InChIKey NVFPPGYZJOCKTJ-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES C1(=C(CCC1)CC(CCCC)=O)C(=O)OC
SPLASH splash10-0a4r-9400000000-9ae2832470dcda87cf80
Source of Spectrum J-66-6828-13
Wiley ID 1536049