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6,6-Dimethyl-5-oxoheptanoic Acid
SpectraBase Compound ID 8cewLGq55Tf
InChI InChI=1S/C9H16O3/c1-9(2,3)7(10)5-4-6-8(11)12/h4-6H2,1-3H3,(H,11,12)
InChIKey SUGPUUGENXAWCC-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cer6o2zkc0H
Name 6,6-Dimethyl-5-oxoheptanoic Acid
Alternate Name(s) 5-keto-6,6-dimethyl-enanthic acid 6,6-Dimethyl-5-oxidanylidene-heptanoic acid
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Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-9(2,3)7(10)5-4-6-8(11)12/h4-6H2,1-3H3,(H,11,12)
InChIKey SUGPUUGENXAWCC-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
SMILES OC(CCCC(C(C)(C)C)=O)=O
SPLASH splash10-066u-4900000000-24760ba2e149a1b40bff
Source of Spectrum J-60-6713-0
Wiley ID 1168818