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5,5-Dimethyl-7-oxo-2(E)-octenoic acid methyl ester
SpectraBase Compound ID FMNfAY9l5kb
InChI InChI=1S/C11H18O3/c1-9(12)8-11(2,3)7-5-6-10(13)14-4/h5-6H,7-8H2,1-4H3/b6-5+
InChIKey RGNIVPPIXMBBIM-AATRIKPKSA-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 6XJOYNEZIRI
Name 5,5-Dimethyl-7-oxo-2(E)-octenoic acid methyl ester
Alternate Name(s) Methyl (2E)-5,5-dimethyl-7-oxo-2-octenoate
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Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-9(12)8-11(2,3)7-5-6-10(13)14-4/h5-6H,7-8H2,1-4H3/b6-5+
InChIKey RGNIVPPIXMBBIM-AATRIKPKSA-N
Molecular Weight 198.262 g/mol
SMILES C(\C=C\CC(CC(=O)C)(C)C)(=O)OC
SPLASH splash10-0006-7900000000-f9d40cfd01d59c2f470b
Source of Spectrum F-56-9275-5
Wiley ID 859197