Ethyl 4-acetyl-5-oxohexanoate

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Systematic / IUPAC Name: Ethyl 4-acetyl-5-oxohexanoate

ID: Reference2602

Other Names: 4-Acetyl-5-oxohexanoic acid ethyl ester;
Ethyl 4,4-diacetylbutyrate;
Hexanoic acid, 4-acetyl-5-oxo-, ethyl ester

Formula: C10H16O4

Spectral Data

Ethyl 4-acetyl-5-oxohexanoate 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 Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 169
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/20/2015 7:20:52 AM
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Identificators

InChI InChI=1S/C10H16O4/c1-4-14-10(13)6-5-9(7(2)11)8(3)12/h9H,4-6H2,1-3H3
InChI Key YRSGDLIATOURQO-UHFFFAOYSA-N
Canonical SMILES CCOC(=O)CCC(C(=O)C)C(=O)C
CAS 2832102
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Other Names 4-Acetyl-5-oxohexanoic acid ethyl ester;
Ethyl 4,4-diacetylbutyrate;
Hexanoic acid, 4-acetyl-5-oxo-, ethyl ester

In Other Databases

PubChem 2733934
ChemSpider 2015697