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2-Cyclohexene-1-hexanoic acid, .gamma.-oxo-, methyl ester
SpectraBase Compound ID Ii9MMOj6stA
InChI InChI=1S/C13H20O3/c1-16-13(15)10-9-12(14)8-7-11-5-3-2-4-6-11/h3,5,11H,2,4,6-10H2,1H3
InChIKey NMAJSHXCRFKYRO-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 6oVM7kfyGTT
Name 2-Cyclohexene-1-hexanoic acid, .gamma.-oxo-, methyl ester
CAS Registry Number 126790-42-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-16-13(15)10-9-12(14)8-7-11-5-3-2-4-6-11/h3,5,11H,2,4,6-10H2,1H3
InChIKey NMAJSHXCRFKYRO-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES C(=O)(CCC(=O)CCC1C=CCCC1)OC
SPLASH splash10-000i-0910000000-607e5548b22b19141933
Source of Spectrum C-112-4006-12
Synonyms Methyl 6-(2'-cyclohexenyl)-4-oxohexanoate Methyl 6-(2-cyclohexen-1-yl)-4-oxohexanoate
Wiley ID 1225340