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5-Methylhexane-2,4-dione, keto form

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

5-Methylhexane-2,4-dione, keto form
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 B2nbgcaPaBE
Name 5-Methyl-2,4-hexanedione
CAS Registry Number 7307-03-1
Copyright Copyright © 2020-2025 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(=O)(C(C)C)CC(C)=O
SPLASH splash10-0006-9000000000-3e6db4c1f45de0889221
Synonyms 5-Methyl-2,4-hexanedione (enol) 5-Methylhexane-2,4-dione 5-Methylhexane-2,4-dione, keto form
Wiley ID 1476906