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2-Methyl-6-oxoheptanoic Acid
SpectraBase Compound ID 2OeUfjwy97I
InChI InChI=1S/C8H14O3/c1-6(8(10)11)4-3-5-7(2)9/h6H,3-5H2,1-2H3,(H,10,11)
InChIKey SCTKRNGYRPVNQJ-UHFFFAOYSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BgGQiqXrymJ
Name 2-Methyl-6-oxoheptanoic Acid
CAS Registry Number 2570-68-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-6(8(10)11)4-3-5-7(2)9/h6H,3-5H2,1-2H3,(H,10,11)
InChIKey SCTKRNGYRPVNQJ-UHFFFAOYSA-N
Molecular Weight 158.197 g/mol
SMILES OC(C(CCCC(C)=O)C)=O
SPLASH splash10-02ta-9400000000-5060e84aeed716d3bf69
Source of Spectrum C-109-460-0
Synonyms 2-Methyl-6-oxo-heptanoic acid 2-Methyl-6-oxidanylidene-heptanoic acid
Wiley ID 1156782