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Methyl 1-Ethyl-2-oxocycloheptanecarboxylate
SpectraBase Compound ID FNivQNpM4BQ
InChI InChI=1S/C11H18O3/c1-3-11(10(13)14-2)8-6-4-5-7-9(11)12/h3-8H2,1-2H3
InChIKey PGIRBPIAXAOSBH-UHFFFAOYSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8fA8HofY1u
Name Methyl 1-Ethyl-2-oxocycloheptanecarboxylate
Alternate Name(s) 1-Ethyl-2-oxo-1-cycloheptanecarboxylic acid methyl ester Methyl 1-ethyl-2-oxocycloheptane-1-carboxylate Methyl 1-ethyl-2-oxo-cycloheptanecarboxylate Methyl 1-ethyl-2-oxidanylidene-cycloheptane-1-carboxylate
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Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-3-11(10(13)14-2)8-6-4-5-7-9(11)12/h3-8H2,1-2H3
InChIKey PGIRBPIAXAOSBH-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo300887u
Molecular Weight 198.262 g/mol
SMILES C1(C(=O)OC)(C(CCCCC1)=O)CC
SPLASH splash10-0a5j-9400000000-c0cc46a5e8d8ac94b54d
Source of Spectrum J-77-6092-2d
Wiley ID 1745161