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3-Acetyl-5-methylhex-5-ene-2,4-dione
SpectraBase Compound ID KKMgee5ev7O
InChI InChI=1S/C9H12O3/c1-5(2)9(12)8(6(3)10)7(4)11/h8H,1H2,2-4H3
InChIKey CUSMSMHSBMMCNS-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FiNgkBslCFw
Name 3-Acetyl-5-methylhex-5-ene-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-5(2)9(12)8(6(3)10)7(4)11/h8H,1H2,2-4H3
InChIKey CUSMSMHSBMMCNS-UHFFFAOYSA-N
Molecular Weight 168.192 g/mol
SMILES CC(=O)C(C(C)=O)C(=O)C(C)=C
SPLASH splash10-0173-9500000000-1a885af850872810af91
Source of Spectrum JX-2012-396
Synonyms 3-Acetyl-5-methyl-5-hexene-2,4-dione 3-Ethanoyl-5-methyl-hex-5-ene-2,4-dione 4-Acetyl-2-methylene-3,5-hexanedione
Wiley ID 1660843