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5-Methyl-2,4-hexanedione
SpectraBase Compound ID LvZHtaybCiU
InChI InChI=1S/C7H12O2/c1-5(2)7(9)4-6(3)8/h5H,4H2,1-3H3
InChIKey KHZGUWAFFHXZLC-UHFFFAOYSA-N
Mol Weight 128.17 g/mol
Molecular Formula C7H12O2
Exact Mass 128.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQOSxQPKv79
Name 5-Methyl-2,4-hexanedione
CAS Registry Number 7307-03-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2
InChI InChI=1S/C7H12O2/c1-5(2)7(9)4-6(3)8/h5H,4H2,1-3H3
InChIKey KHZGUWAFFHXZLC-UHFFFAOYSA-N
Molecular Weight 128.171 g/mol
SMILES C(CC(C)=O)(C(C)C)=O
SPLASH splash10-0006-9100000000-3401a7ff89a4ccda26ac
Source of Spectrum O-22-497-9
Synonyms 5-Methyl-2,4-hexanedione (enol) 5-Methylhexane-2,4-dione 5-Methylhexane-2,4-dione, keto form
Wiley ID 1131371