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6-(6-ketocyclohexen-1-yl)hexanoic acid methyl ester
SpectraBase Compound ID DSIoJdv3lFy
InChI InChI=1S/C13H20O3/c1-16-13(15)10-4-2-3-7-11-8-5-6-9-12(11)14/h8H,2-7,9-10H2,1H3
InChIKey PERBUWOJBIULNS-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 IzDR2BdeEZo
Name 6-(6-ketocyclohexen-1-yl)hexanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-16-13(15)10-4-2-3-7-11-8-5-6-9-12(11)14/h8H,2-7,9-10H2,1H3
InChIKey PERBUWOJBIULNS-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES C1(C(=CCCC1)CCCCCC(=O)OC)=O
SPLASH splash10-0006-9500000000-b77f210a84fe1424cc27
Source of Spectrum SO-0-493-5
Synonyms 6-(6-oxo-1-cyclohexenyl)hexanoic acid methyl ester Methyl 6-(6-oxidanylidenecyclohexen-1-yl)hexanoate Methyl 6-(6-oxocyclohexen-1-yl)hexanoate
Wiley ID 1538894