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3-Acetyl-butanone-2
SpectraBase Compound ID 4ReOdM80rp
InChI InChI=1S/C6H10O2/c1-4(5(2)7)6(3)8/h4H,1-3H3
InChIKey GSOHKPVFCOWKPU-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 6VNpEG5EtCG
Name 2,4-Pentanedione, 3-methyl-
CAS Registry Number 815-57-6
Comments Less than 3 mono-isotopic peaks
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Formula C6H10O2
InChI InChI=1S/C6H10O2/c1-4(5(2)7)6(3)8/h4H,1-3H3
InChIKey GSOHKPVFCOWKPU-UHFFFAOYSA-N
Molecular Weight 114.144 g/mol
SMILES C(C(C(=O)C)C)(=O)C
SPLASH splash10-01ox-9500000000-d63d03cf7a7e6981d7ca
Source of Spectrum SO-0-689-5
Synonyms 3-Acetylbutan-2-one 3-Methyl-2,4-pentanedione 3-Methylpentane-2,4-dione Methylacetylacetone EINECS 212-420-3 NSC 15756
Wiley ID 1540988