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4-ketovaleric acid isopropyl ester

View entire compound with spectra: 3 MS (GC)

4-ketovaleric acid isopropyl ester
SpectraBase Compound ID 5hspsEDVlAF
InChI InChI=1S/C8H14O3/c1-6(2)11-8(10)5-4-7(3)9/h6H,4-5H2,1-3H3
InChIKey MGJRGGIHFUREHT-UHFFFAOYSA-N
Mol Weight 158.2 g/mol
Molecular Formula C8H14O3
Exact Mass 158.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUMRVE8FcTd
Name 4-ketovaleric acid isopropyl ester
CAS Registry Number 21884-26-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-6(2)11-8(10)5-4-7(3)9/h6H,4-5H2,1-3H3
InChIKey MGJRGGIHFUREHT-UHFFFAOYSA-N
Molecular Weight 158.197 g/mol
SMILES CC(OC(CCC(C)=O)=O)C
SPLASH splash10-0007-9100000000-bfb8312d2a63298e5b81
Source of Spectrum NP-1-8604-0
Synonyms Isopropyl 4-oxopentanoate iso-Propyl levulinate 4-Oxopentanoic acid propan-2-yl ester Pentanoic acid, 4-oxo-, 1-methylethyl ester Propan-2-yl 4-oxopentanoate Propan-2-yl 4-oxidanylidenepentanoate
Wiley ID 1099732