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CAS Number: 5027-32-7
3,4-diacetylhexane-2,5-dione

Structure

3,4-diacetylhexane-2,5-dione
Name: 3,4-diacetylhexane-2,5-dione
Synonyms:
General Information
Product Number: 5027327

CAS Registry Number 5027-32-7
Name:
2,​5-​Hexanedione, 3,​4-​diacetyl-
1,1,2,2-Tetraacetylethane
3,4-Diacetyl-2,5-dioxohexane
3,4-Diacetylhexane-2,5-dione
Bis(acetylacetone)
NSC 35137

 

Chemical Formula: C10H14O4
Exact Mass: 198.09
Molecular Weight: 198.22
m/z: 198.09 (100.0%), 199.09 (11.0%)

 

InChI:InChI=1S/C10H14O4/c1-5(11)9(6(2)12)10(7(3)13)8(4)14/h9-10H,1-4H3

InChI Key:CSKRBHOAJUMOKJ-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C(C(C(=O)C)C(=O)C)C(=O)C

Specification

98%

References
  1. (3) Raissi, Heidar; Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy 2006, V65A(3-4), P605-615 CAPLUS
  2. (8) Lyssenko, Konstatin A.; Mendeleev Communications 2003, (2), P60-62 CAPLUS
  3. (9) Piccoli, Paula M. B.; Journal of Physical Chemistry A 2008, V112(29), P6667-6677 CAPLUS
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