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[2-(2,5-Dimethoxyphenyl)-3-oxocyclohexyl]acetic acid, methyl ester
SpectraBase Compound ID 2b4fkW3ExjL
InChI InChI=1S/C17H22O5/c1-20-12-7-8-15(21-2)13(10-12)17-11(9-16(19)22-3)5-4-6-14(17)18/h7-8,10-11,17H,4-6,9H2,1-3H3
InChIKey QIOUZDDUMDXITK-UHFFFAOYSA-N
Mol Weight 306.36 g/mol
Molecular Formula C17H22O5
Exact Mass 306.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QT17MZuSm
Name [2-(2,5-Dimethoxyphenyl)-3-oxocyclohexyl]acetic acid, methyl ester
Alternate Name(s) 2-[2-(2,5-dimethoxyphenyl)-3-keto-cyclohexyl]acetic acid methyl ester 2-[2-(2,5-dimethoxyphenyl)-3-oxocyclohexyl]acetic acid methyl ester Methyl 2-[2-(2,5-dimethoxyphenyl)-3-oxidanylidene-cyclohexyl]ethanoate Methyl 2-[2-(2,5-dimethoxyphenyl)-3-oxo-cyclohexyl]acetate
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Formula C17H22O5
InChI InChI=1S/C17H22O5/c1-20-12-7-8-15(21-2)13(10-12)17-11(9-16(19)22-3)5-4-6-14(17)18/h7-8,10-11,17H,4-6,9H2,1-3H3
InChIKey QIOUZDDUMDXITK-UHFFFAOYSA-N
Molecular Weight 306.358 g/mol
SMILES COc1cc(c(cc1)OC)C1C(CCCC1CC(=O)OC)=O
SPLASH splash10-0pc0-3962000000-f4400e13c488a14c7b7a
Wiley ID 1485828