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2,4-Heptanedione
SpectraBase Compound ID JKgb7FBCE7M
InChI InChI=1S/C7H12O2/c1-3-4-7(9)5-6(2)8/h3-5H2,1-2H3
InChIKey ILPNRWUGFSPGAA-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 JMLZhA16BmY
Name 2,4-Heptanedione
Alternate Name(s) Butanoylacetone Butyrylacetone Heptane-2,4-dione AI3-19255 EINECS 230-759-5
CAS Registry Number 7307-02-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2
InChI InChI=1S/C7H12O2/c1-3-4-7(9)5-6(2)8/h3-5H2,1-2H3
InChIKey ILPNRWUGFSPGAA-UHFFFAOYSA-N
Molecular Weight 128.171 g/mol
SMILES CCCC(=O)CC(=O)C
SPLASH splash10-000l-9200000000-af07a53a61c302c30f03
Source of Spectrum W5-3818-0-0
Wiley ID 1131242