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4,5-Octanedione

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

4,5-Octanedione
SpectraBase Compound ID HCh1Sk1lMF8
InChI InChI=1S/C8H14O2/c1-3-5-7(9)8(10)6-4-2/h3-6H2,1-2H3
InChIKey XYZAPOXYXNIBEU-UHFFFAOYSA-N
Mol Weight 142.2 g/mol
Molecular Formula C8H14O2
Exact Mass 142.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G1SBLrkY3Ap
Name 4,5-Octanedione
CAS Registry Number 5455-24-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O2
InChI InChI=1S/C8H14O2/c1-3-5-7(9)8(10)6-4-2/h3-6H2,1-2H3
InChIKey XYZAPOXYXNIBEU-UHFFFAOYSA-N
Molecular Weight 142.198 g/mol
SMILES CCCC(C(CCC)=O)=O
SPLASH splash10-006x-9000000000-66765d17c132382a2f58
Source of Spectrum JX-2015-6-4509
Synonyms 4,5-Octadione Octane-4,5-dione Bibutyryl n-Octane-4,5-dione Octan-4,5-dione
Wiley ID 1728865