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Ethyl 2-Acetyl-6-methylhept-5-enoate
SpectraBase Compound ID 7imaSInQJEi
InChI InChI=1S/C12H20O3/c1-5-15-12(14)11(10(4)13)8-6-7-9(2)3/h7,11H,5-6,8H2,1-4H3
InChIKey SFSRTJMCPONCCW-UHFFFAOYSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJKM5hDtd0P
Name Ethyl 2-Acetyl-6-methylhept-5-enoate
Alternate Name(s) 2-Acetyl-6-methyl-5-heptenoic acid ethyl ester Ethyl 2-acetyl-6-methyl-hept-5-enoate Ethyl 2-ethanoyl-6-methyl-hept-5-enoate
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Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-5-15-12(14)11(10(4)13)8-6-7-9(2)3/h7,11H,5-6,8H2,1-4H3
InChIKey SFSRTJMCPONCCW-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo100779z
Molecular Weight 212.289 g/mol
SMILES CC(C(C(OCC)=O)CCC=C(C)C)=O
SPLASH splash10-0a4i-0900000000-00b0933849fceb551f0f
Source of Spectrum J-75-5339-7b
Wiley ID 1746603