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2,3-Heptanedione
SpectraBase Compound ID 1frLXPbbNCz
InChI InChI=1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3
InChIKey FJPGAMCQJNLTJC-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 4fgLGePz0K
Name 2,3-Heptanedione
CAS Registry Number 96-04-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2
InChI InChI=1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3
InChIKey FJPGAMCQJNLTJC-UHFFFAOYSA-N
Molecular Weight 128.171 g/mol
SMILES CC(C(=O)CCCC)=O
SPLASH splash10-052f-9000000000-cb1881b573c143b9736c
Source of Spectrum MG-93-0-0
Synonyms Acetyl pentanoyl Acetyl valeryl Heptane-2,3-dione Valerylacetyl EINECS 202-472-5 FEMA NO. 2543 NSC 31668
Wiley ID 1131241