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2-Ethyl-3,5-diketo-hexanoic acid methyl ester
SpectraBase Compound ID 7d8kwEBpMyl
InChI InChI=1S/C9H14O4/c1-4-7(9(12)13-3)8(11)5-6(2)10/h7H,4-5H2,1-3H3
InChIKey RQRBHNXQCALCLH-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 7ActAoxkcV0
Name 2-Ethyl-3,5-diketo-hexanoic acid methyl ester
Alternate Name(s) 2-Ethyl-3,5-dioxohexanoic acid methyl ester Methyl 2-ethyl-3,5-bis(oxidanylidene)hexanoate Methyl 2-ethyl-3,5-dioxo-hexanoate
CAS Registry Number 113689-79-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O4
InChI InChI=1S/C9H14O4/c1-4-7(9(12)13-3)8(11)5-6(2)10/h7H,4-5H2,1-3H3
InChIKey RQRBHNXQCALCLH-UHFFFAOYSA-N
Molecular Weight 186.207 g/mol
SMILES C(C(CC(=O)C)=O)(C(=O)OC)CC
SPLASH splash10-000i-9000000000-2c3f71aa1f88405f48c3
Source of Spectrum F-46-2042-6
Wiley ID 1182528