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3-Oxohexanoic acid ethyl ester
SpectraBase Compound ID 9ZRcrDt1lSE
InChI InChI=1S/2C8H14O3/c2*1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3;6,9H,3-5H2,1-2H3/b;7-6-
InChIKey IJCYXYIFOGHZST-VDXOJYAPSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DUFQXl1vO6X
Name 3-OXOHEXANOIC ACID, ETHYL ESTER
Source of Sample Fluka AG, Buchs, Switzerland
Boiling Point 86-89C
Comments Enol form present
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/2C8H14O3/c2*1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3;6,9H,3-5H2,1-2H3/b;7-6-
InChIKey IJCYXYIFOGHZST-VDXOJYAPSA-N
Molecular Weight 158.20
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms HEXANOIC ACID, 3-OXO-, ETHYL ESTER