Ethyl 2-methylacetoacetate

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Systematic / IUPAC Name: Ethyl 2-methyl-3-oxobutanoate

ID: Reference13933

Other Names: AA-4570

Formula: C7H12O3

Class: Endogenous Metabolites

Spectral Data

Ethyl 2-methylacetoacetate 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 ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 360
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 5/29/2026 9:02:14 AM
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Identificators

InChI InChI=1S/C7H12O3/c1-4-10-7(9)5(2)6(3)8/h5H,4H2,1-3H3
InChI Key FNENWZWNOPCZGK-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C(C)C(C)=O
CAS
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Other Names AA-4570

In Other Databases

ChEMBL CHEMBL31596
PubChem 701; 701
ChemSpider CAM-FJL-MDW-53; 21106586