Diethyl malonate

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Systematic / IUPAC Name: Diethyl propanedioate

ID: Reference6583

Other Names: 1,3-Diethyl propanedioate;
Carbethoxyacetic ester;
Dicarbethoxymethane;
Diethyl propane-1,3-dioate;
Ethyl methanedicarboxylate ; more

Formula: C7H12O4

Class: Endogenous Metabolites Excipients/Additives/Colorants Personal Care Products/Cosmetics Industrial Chemicals

Spectral Data

Diethyl malonate 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 Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 256
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/24/2017 11:50:26 AM
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Identificators

InChI InChI=1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3
InChI Key IYXGSMUGOJNHAZ-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)CC(=O)OCC
CAS 105533
Splash
Other Names 1,3-Diethyl propanedioate;
Carbethoxyacetic ester;
Dicarbethoxymethane;
Diethyl propane-1,3-dioate;
Ethyl methanedicarboxylate;
Ethyl propanedioate;
Malonic acid, diethyl ester;
Methanedicarboxylic acid, diethyl ester;
Propanedioic acid, 1,3-diethyl ester;
Propanedioic acid, diethyl ester

In Other Databases

PubChem 7761
Wikipedia Diethyl malonate
HMDb HMDB29573
ChemSpider 13863636
ChEMBL CHEMBL177114