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Isobutyl 4-oxopentanoate
SpectraBase Compound ID 8XiXXNCTT6j
InChI InChI=1S/C9H16O3/c1-7(2)6-12-9(11)5-4-8(3)10/h7H,4-6H2,1-3H3
InChIKey WETOYPNHZMSVFZ-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4uMiUeK6q6x
Name Isobutyl 4-oxopentanoate
CAS Registry Number 3757-32-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-7(2)6-12-9(11)5-4-8(3)10/h7H,4-6H2,1-3H3
InChIKey WETOYPNHZMSVFZ-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
SMILES CC(CCC(OCC(C)C)=O)=O
SPLASH splash10-052g-9000000000-565c663a96359a3f842a
Source of Spectrum NP-2-5687-0
Synonyms 2-Methylpropyl 4-oxidanylidenepentanoate 4-ketovaleric acid isobutyl ester 2-Methylpropyl 4-oxopentanoate iso-Butyl levulinate 4-Oxopentanoic acid 2-methylpropyl ester Pentanoic acid, 4-oxo-, 2-methylpropyl ester
Wiley ID 1101270