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2,5-Hexanedione
SpectraBase Compound ID KtiabYuhzOa
InChI InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
InChIKey OJVAMHKKJGICOG-UHFFFAOYSA-N
Mol Weight 114.14 g/mol
Molecular Formula C6H10O2
Exact Mass 114.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 50bc2qJSYr0
Name hexane-2,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H10O2
InChI InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
InChIKey OJVAMHKKJGICOG-UHFFFAOYSA-N
Instrument Name Agilent 6890N GC-5973 MS
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211461
Molecular Weight 114.144 g/mol
Quality 424
SMILES CC(=O)CCC(C)=O
SPLASH splash10-0006-9000000000-cab665406b4c2f1e449b
Source of Spectrum ACI-62-SM12-HD (DOI: 10.1002/anie.202211461)
Wiley ID 1908397