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2,2-Dimethyl-3-oxopentanoic acid, ethyl ester
SpectraBase Compound ID 2FOCieF59fK
InChI InChI=1S/C9H16O3/c1-5-7(10)9(3,4)8(11)12-6-2/h5-6H2,1-4H3
InChIKey WIOMWIBESRUZSR-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 CbCPDkUHZaX
Name 2,2-Dimethyl-3-oxopentanoic acid, ethyl ester
Alternate Name(s) 3-keto-2,2-dimethyl-valeric acid ethyl ester Ethyl 2,2-dimethyl-3-oxidanylidene-pentanoate Ethyl 2,2-dimethyl-3-oxo-pentanoate 2,2-Dimethyl-3-oxopentanoic acid ethyl ester
CAS Registry Number 57959-48-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-5-7(10)9(3,4)8(11)12-6-2/h5-6H2,1-4H3
InChIKey WIOMWIBESRUZSR-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
SMILES C(=O)(CC)C(C)(C)C(=O)OCC
SPLASH splash10-056r-9000000000-891090e815271f17b9f2
Wiley ID 1481780