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4-Methyl-3-oxovaleric acid ethyl ester

View entire compound with spectra: 9 NMR, 6 FTIR, and 4 MS (GC)

4-Methyl-3-oxovaleric acid ethyl ester
SpectraBase Compound ID 1pyBoTIs0KF
InChI InChI=1S/C8H14O3/c1-4-11-8(10)5-7(9)6(2)3/h6H,4-5H2,1-3H3
InChIKey XCLDSQRVMMXWMS-UHFFFAOYSA-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 K1um4HHG1uh
Name 4-METHYL-3-OXOVALERIC ACID, ETHYL ESTER
Source of Sample Fluka AG, Buchs, Switzerland
Boiling Point 90-92C/12mm
Comments Enol form present
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-4-11-8(10)5-7(9)6(2)3/h6H,4-5H2,1-3H3
InChIKey XCLDSQRVMMXWMS-UHFFFAOYSA-N
Molecular Weight 158.20
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PENTANOIC ACID, 4-METHYL-3-OXO-, ETHYL ESTER