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3-Hydroxy-2,6-dimethylheptan-4-one
SpectraBase Compound ID D1fgxw1OrI7
InChI InChI=1S/C9H18O2/c1-6(2)5-8(10)9(11)7(3)4/h6-7,9,11H,5H2,1-4H3
InChIKey QMXYLTMVXBNDBX-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQ8yXmjywDg
Name 3-Hydroxy-2,6-dimethylheptan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-6(2)5-8(10)9(11)7(3)4/h6-7,9,11H,5H2,1-4H3
InChIKey QMXYLTMVXBNDBX-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES OC(C(CC(C)C)=O)C(C)C
SPLASH splash10-0a4i-4900000000-ea325b92db2587b24ffb
Source of Spectrum F-51-3179-7
Synonyms 3-Hydroxy-2,6-dimethyl-4-heptanone 2,6-Dimethyl-3-oxidanyl-heptan-4-one
Wiley ID 791335