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5,5-Dimethyl-4-oxo-hexanoic acid, methyl ester
SpectraBase Compound ID 4xC6MvAI8vq
InChI InChI=1S/C9H16O3/c1-9(2,3)7(10)5-6-8(11)12-4/h5-6H2,1-4H3
InChIKey RBYITJRPJYFQRC-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 HStPXNZhXcK
Name 4-keto-5,5-dimethyl-hexanoic acid methyl ester
CAS Registry Number 34553-32-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-9(2,3)7(10)5-6-8(11)12-4/h5-6H2,1-4H3
InChIKey RBYITJRPJYFQRC-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
SMILES C(C(C)(C)C)(=O)CCC(=O)OC
SPLASH splash10-014i-0900000000-cbcb8ae3aed5b259bffe
Source of Spectrum SB-31-543-0
Synonyms 5,5-Dimethyl-4-oxohexanoic acid methyl ester Methyl 5,5-dimethyl-4-oxidanylidene-hexanoate Methyl 5,5-dimethyl-4-oxo-hexanoate
Wiley ID 1168660