Diethyl oxalpropionate

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Systematic / IUPAC Name: Diethyl 2-methyl-3-oxobutanedioate

ID: Reference13915

Other Names: Butanedioic acid, 2-methyl-3-oxo-, 1,4-diethyl ester;
AA-4541

Formula: C9H14O5

Class: Endogenous Metabolites

Spectral Data

Diethyl oxalpropionate 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 215
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 5/22/2026 10:17:55 AM
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Identificators

InChI InChI=1S/C9H14O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6H,4-5H2,1-3H3
InChI Key OQOCQBJWOCRPQY-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)C(=O)C(C)C(=O)OCC
CAS
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Other Names Butanedioic acid, 2-methyl-3-oxo-, 1,4-diethyl ester;
AA-4541

In Other Databases

KEGG C04067
ChEBI CHEBI:16879
HMDb HMDB0032306
ChemSpider 88226
PubChem 97750; 97750