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2-Acetyl-5-oxo-hexanoic acid, ethyl ester
SpectraBase Compound ID GB0Fp7fli0Y
InChI InChI=1S/C10H16O4/c1-4-14-10(13)9(8(3)12)6-5-7(2)11/h9H,4-6H2,1-3H3
InChIKey FSXQBIOXTYIIDI-UHFFFAOYSA-N
Mol Weight 200.23 g/mol
Molecular Formula C10H16O4
Exact Mass 200.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CSXk5KB2ZAn
Name Ethyl 2-acetyl-5-oxohexanoate
Carrier Gas Helium
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.104858991 u
Formula C10H16O4
InChI InChI=1S/C10H16O4/c1-4-14-10(13)9(8(3)12)6-5-7(2)11/h9H,4-6H2,1-3H3
InChIKey FSXQBIOXTYIIDI-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201801443
Molecular Weight 200.234 g/mol
Quality 236
SMILES C(C(=O)C)(CCC(=O)C)C(OCC)=O
SPLASH splash10-08gi-3900000000-951f93c60ecccc4a7605
Source of Spectrum K1-2018-6189-6189-3 (DOI: 10.1002/ejoc.201801443)
Wiley ID 1894395