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3-Oxohexanoic acid ethyl ester

View entire compound with spectra: 3 NMR, 5 FTIR, 1 Raman, 7 MS (GC), and 2 Near IR

3-Oxohexanoic acid ethyl ester
SpectraBase Compound ID 4eKnKLlYpkj
InChI InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3
InChIKey KQWWVLVLVYYYDT-UHFFFAOYSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 5Fwlz2cgFoM
Name Ethyl 3-oxohexanoate
Source of Sample Aldrich
Catalog Number E15809
CAS Registry Number 3249-68-1
Classification Non-aromatic esters and lactones
Copyright Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3
InChIKey KQWWVLVLVYYYDT-UHFFFAOYSA-N
Purity 98%
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Ethyl butyrylacetate
Technique Neat
Wiley ID SIAL_FTIR_1_9782