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2,5-Heptanedione
SpectraBase Compound ID 2HB5FuOaw4G
InChI InChI=1S/C7H12O2/c1-3-7(9)5-4-6(2)8/h3-5H2,1-2H3
InChIKey HGRGPAAXHOTBAM-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 73sOlo8QVVO
Name 2,5-Heptanedione
CAS Registry Number 1703-51-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2
InChI InChI=1S/C7H12O2/c1-3-7(9)5-4-6(2)8/h3-5H2,1-2H3
InChIKey HGRGPAAXHOTBAM-UHFFFAOYSA-N
Molecular Weight 128.171 g/mol
SMILES C(=O)(CCC(=O)CC)C
SPLASH splash10-052g-9000000000-cd4693f1ec5e3c66b161
Source of Spectrum F-48-3350-24
Synonyms 2,4-Heptadione 2,4-Heptandione 3,6-Heptanedione Heptane-2,5-dione 2,4-Heptanedione 2,5-Heptadione Butanoylacetone Butyrylacetone Heptane-2,4-dione AI3-19255 EINECS 230-759-5
Wiley ID 1131417