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3,5-Dimethyl-4-oxohexanoic acid
SpectraBase Compound ID 9VPsiI0DsSr
InChI InChI=1S/C8H14O3/c1-5(2)8(11)6(3)4-7(9)10/h5-6H,4H2,1-3H3,(H,9,10)
InChIKey IPOPMUJUFICCSO-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 9Eu2VfGlJt2
Name 3,5-Dimethyl-4-oxohexanoic acid
CAS Registry Number 108199-69-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-5(2)8(11)6(3)4-7(9)10/h5-6H,4H2,1-3H3,(H,9,10)
InChIKey IPOPMUJUFICCSO-UHFFFAOYSA-N
Molecular Weight 158.197 g/mol
SMILES OC(CC(C(=O)C(C)C)C)=O
SPLASH splash10-0006-9100000000-acec4b4179044fbdf82f
Source of Spectrum F-42-4233-21
Synonyms 3,5-Dimethyl-4-oxo-hexanoic acid 3,5-Dimethyl-4-oxidanylidene-hexanoic acid
Wiley ID 1155228