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3-(2-Methyl-3-oxocyclohexyl)propionic Acid MethylEster
SpectraBase Compound ID J5L9nC80ZdS
InChI InChI=1S/C11H18O3/c1-8-9(4-3-5-10(8)12)6-7-11(13)14-2/h8-9H,3-7H2,1-2H3
InChIKey SMRXXBUDDASJIG-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 CkLHDslGGQ
Name 3-(2-Methyl-3-oxocyclohexyl)propionic Acid MethylEster
Alternate Name(s) Methyl 3-(2-methyl-3-oxocyclohexyl)propanoate
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Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-8-9(4-3-5-10(8)12)6-7-11(13)14-2/h8-9H,3-7H2,1-2H3
InChIKey SMRXXBUDDASJIG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200700046
Molecular Weight 198.262 g/mol
SMILES C(CCC1C(C(CCC1)=O)C)(=O)OC
SPLASH splash10-03di-2900000000-776c5ba391a8d98be2d6
Source of Spectrum ASC-349-1358-16
Wiley ID 1765655