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2-Acetyl-4-keto-valeric acid ethyl ester
SpectraBase Compound ID 9tzlXJBu4z9
InChI InChI=1S/C9H14O4/c1-4-13-9(12)8(7(3)11)5-6(2)10/h8H,4-5H2,1-3H3
InChIKey WANUOLLLVOSMFL-UHFFFAOYSA-N
Mol Weight 186.21 g/mol
Molecular Formula C9H14O4
Exact Mass 186.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOlutIQvekW
Name 2-Acetyl-4-keto-valeric acid ethyl ester
CAS Registry Number 41892-81-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O4
InChI InChI=1S/C9H14O4/c1-4-13-9(12)8(7(3)11)5-6(2)10/h8H,4-5H2,1-3H3
InChIKey WANUOLLLVOSMFL-UHFFFAOYSA-N
Molecular Weight 186.207 g/mol
SMILES C(C(=O)OCC)(C(=O)C)CC(=O)C
SPLASH splash10-0006-9200000000-e3a37b87e1ec848fbc84
Source of Spectrum J-52-3196-20
Synonyms 2-Acetyl-4-oxopentanoic acid ethyl ester Ethyl 2-acetyl-4-oxo-pentanoate Ethyl 2-acetyl-4-oxovalerate Ethyl 2-ethanoyl-4-oxidanylidene-pentanoate EINECS 255-582-0
Wiley ID 1182535