Ethyl malonate
1247
Reference
Ethyl malonate Structure
Systematic / IUPAC Name: 3-Ethoxy-3-oxopropanoic acid
ID: Reference1247
Other Names:
Monoethyl malonic acid;
(Ethoxycarbonyl)acetic acid;
2-(Ethoxycarbonyl)acetic acid
Formula: C5H8O4
Class: Endogenous Metabolites
Spectral Data
Ethyl malonate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 71 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 12/4/2014 1:43:50 PM |
Identificators
| InChI | InChI=1S/C5H8O4/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3,(H,6,7) |
| InChI Key | HGINADPHJQTSKN-UHFFFAOYSA-N |
| Canonical SMILES | CCOC(=O)CC(=O)O |
| CAS | 1071461 |
| Splash | |
| Other Names |
Monoethyl malonic acid; (Ethoxycarbonyl)acetic acid; 2-(Ethoxycarbonyl)acetic acid |