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Methyl 4,5-Dimethyl-2-(2-methylene-5-oxohexyl)benzoate
SpectraBase Compound ID LpjszwQT79c
InChI InChI=1S/C17H22O3/c1-11(6-7-14(4)18)8-15-9-12(2)13(3)10-16(15)17(19)20-5/h9-10H,1,6-8H2,2-5H3
InChIKey WVQRBKVVZPRDHA-UHFFFAOYSA-N
Mol Weight 274.36 g/mol
Molecular Formula C17H22O3
Exact Mass 274.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4aJCfDjb2go
Name Methyl 4,5-Dimethyl-2-(2-methylene-5-oxohexyl)benzoate
Alternate Name(s) 4,5-Dimethyl-2-(2-methylene-5-oxohexyl)benzoic acid methyl ester Methyl 4,5-dimethyl-2-(2-methylidene-5-oxohexyl)benzoate Methyl 4,5-dimethyl-2-(2-methylene-5-oxo-hexyl)benzoate Methyl 4,5-dimethyl-2-(2-methylidene-5-oxidanylidene-hexyl)benzoate
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Formula C17H22O3
InChI InChI=1S/C17H22O3/c1-11(6-7-14(4)18)8-15-9-12(2)13(3)10-16(15)17(19)20-5/h9-10H,1,6-8H2,2-5H3
InChIKey WVQRBKVVZPRDHA-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo301028b
Molecular Weight 274.360 g/mol
SMILES c1(cc(CC(CCC(C)=O)=C)c(cc1C)C(=O)OC)C
SPLASH splash10-006t-0930000000-853aa41b07ab63ae70ee
Source of Spectrum J-77-8383-17a
Wiley ID 1745195