Ethyl levulinate

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Systematic / IUPAC Name: Ethyl 4-oxopentanoate

ID: Reference6578

Other Names: 4-Ketovaleric acid ethyl ester;
4-Oxopentanoic acid ethyl ester;
4-Oxovaleric acid ethyl ester;
Ethyl 3-acetylpropionate;
Ethyl 4-ketovalerate ; more

Formula: C7H12O3

Class: Excipients/Additives/Colorants

Spectral Data

Ethyl levulinate 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 93
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 4/21/2017 6:54:22 AM
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Identificators

InChI InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3
InChI Key GMEONFUTDYJSNV-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)CCC(=O)C
CAS 539888
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Other Names 4-Ketovaleric acid ethyl ester;
4-Oxopentanoic acid ethyl ester;
4-Oxovaleric acid ethyl ester;
Ethyl 3-acetylpropionate;
Ethyl 4-ketovalerate;
Ethyl 4-oxovalerate;
Ethyl ketovalerate;
Ethyl levulate;
Ethyllevulinate;
Levulinic acid ethyl ester;
Levulinic acid, ethyl ester;
Pentanoic acid, 4-oxo-, ethyl ester

In Other Databases

ChEMBL CHEMBL3182933
PubChem 10883
HMDb HMDB40433
ChemSpider 13853514