Diacetyl

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Systematic / IUPAC Name: Butane-2,3-dione

ID: Reference130

Other Names: 2,3-Butanedione;
Dimethylglyoxal;
2,3-Diketobutane;
2,3-Dioxobutane;
Glyoxal, dimethyl- ; more

Formula: C4H6O2

Class: Endogenous Metabolites Excipients/Additives/Colorants

Spectral Data

Diacetyl mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 168
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/5/2014 2:48:38 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3
InChI Key QSJXEFYPDANLFS-UHFFFAOYSA-N
Canonical SMILES CC(=O)C(=O)C
CAS 431038
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Other Names 2,3-Butanedione;
Dimethylglyoxal;
2,3-Diketobutane;
2,3-Dioxobutane;
Glyoxal, dimethyl-;
2,3-Butadione;
2,3-Butandione;
Butan-2,3-dione

In Other Databases

ChEBI CHEBI:16583
ChEMBL CHEMBL365809
HMDb HMDB03407
PubChem 650
Wikipedia Diacetyl
ChemIDPlus 000431038; 000625343; 033249273
ChemSpider 630
KEGG C00741