Methyl acetoacetate

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Systematic / IUPAC Name: Methyl 3-oxobutanoate

ID: Reference488

Other Names: Acetoacetic acid methyl ester;
Butanoic acid, 3-oxo-, methyl ester;
Methyl 3-oxobutyrate;
3-Oxobutanoic acid methyl ester;
Methyl acetylacetate ; more

Formula: C5H8O3

Class: Endogenous Metabolites

Spectral Data

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

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 216
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/27/2015 2:32:30 PM
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Identificators

InChI InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3
InChI Key WRQNANDWMGAFTP-UHFFFAOYSA-N
Canonical SMILES CC(=O)CC(=O)OC
CAS 105453
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Other Names Acetoacetic acid methyl ester;
Butanoic acid, 3-oxo-, methyl ester;
Methyl 3-oxobutyrate;
3-Oxobutanoic acid methyl ester;
Methyl acetylacetate;
Methyl acetylacetonate;
Acetoacetic acid, methyl ester;
Acetoacetic methyl ester;
1-Methoxybutane-1,3-dione;
3-Oxobutyric acid methyl ester;
Methylacetoacetic acid;
Acetoacetate methyl ester;
Methyl 3-oxobutanoic acid;
Methyl 3-oxidanylidenebutanoate

In Other Databases

ChemSpider 13874867
HMDb HMDB00310
PubChem 7757