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3-Acetyl-2,5-hexanedione
SpectraBase Compound ID 1vXz2xTpDvY
InChI InChI=1S/C8H12O3/c1-5(9)4-8(6(2)10)7(3)11/h8H,4H2,1-3H3
InChIKey XJOUXLQTCBNSBY-UHFFFAOYSA-N
Mol Weight 156.18 g/mol
Molecular Formula C8H12O3
Exact Mass 156.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5lma7MH2Urk
Name 3-Acetyl-2,5-hexanedione
CAS Registry Number 42781-07-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O3
InChI InChI=1S/C8H12O3/c1-5(9)4-8(6(2)10)7(3)11/h8H,4H2,1-3H3
InChIKey XJOUXLQTCBNSBY-UHFFFAOYSA-N
Molecular Weight 156.181 g/mol
SMILES C(=O)(C(C(C)=O)CC(=O)C)C
SPLASH splash10-0006-9000000000-eaf8c2bb88dcba075730
Source of Spectrum J-52-3196-21
Synonyms 2,5-Hexanedione, 3-acetyl- 3-Acetylhexane-2,5-dione 3-Ethanoylhexane-2,5-dione
Wiley ID 1153424