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5-Oxo-3-allyloctanoic acid
SpectraBase Compound ID 6yrX2kTjEqa
InChI InChI=1S/C11H18O3/c1-3-5-9(8-11(13)14)7-10(12)6-4-2/h3,9H,1,4-8H2,2H3,(H,13,14)
InChIKey LPTMGKSJBIELPF-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 3uMYngVnRxh
Name 5-Oxo-3-allyloctanoic acid
Alternate Name(s) 5-Oxo-3-prop-2-enyloctanoic acid 3-Allyl-5-oxo-octanoic acid 5-Oxidanylidene-3-prop-2-enyl-octanoic acid
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Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-3-5-9(8-11(13)14)7-10(12)6-4-2/h3,9H,1,4-8H2,2H3,(H,13,14)
InChIKey LPTMGKSJBIELPF-UHFFFAOYSA-N
Molecular Weight 198.262 g/mol
SMILES OC(CC(CC(CCC)=O)CC=C)=O
SPLASH splash10-0006-9100000000-6c0d9d636469e40d0db3
Source of Spectrum U1-2012-5824-b
Wiley ID 1715692