For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BZh29pDLOBc
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 CC(CCC(CC)=O)=O
SPLASH splash10-054p-9000000000-05c2db60b6d03a0ca745
Source of Spectrum EK-1999-398-0
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 1131391