| SpectraBase Spectrum ID |
AXzntWKC8z |
| Name |
Diethyl oxalacetate |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
108-56-5 |
| Comments |
100 mM Diethyl oxalacetate sodium salt - vendor: Fluka 354129; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C8H12O5 |
| IUPAC Name |
2-oxosuccinic acid diethyl ester; diethyl 2-oxobutanedioate |
| InChI |
InChI=1S/C8H12O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h3-5H2,1-2H3 |
| InChIKey |
JDXYSCUOABNLIR-UHFFFAOYSA-N |
| PubChem Compound ID |
66951 |
| SMILES |
CCOC(=O)CC(=O)C(=O)OCC |
| Source File Reference |
bmse000148 |
