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Pentanoic acid, 4,4-dimethyl-5-oxo-
SpectraBase Compound ID EMkWt4V1HR2
InChI InChI=1S/C7H12O3/c1-7(2,5-8)4-3-6(9)10/h5H,3-4H2,1-2H3,(H,9,10)
InChIKey LIGPUSYDSVJBCU-UHFFFAOYSA-N
Mol Weight 144.17 g/mol
Molecular Formula C7H12O3
Exact Mass 144.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EgUoXpXLin2
Name Pentanoic acid, 4,4-dimethyl-5-oxo-
Alternate Name(s) 4,4-Dimethyl-5-oxidanylidene-pentanoic acid 4,4-Dimethyl-5-oxo-pentanoic acid 5-keto-4,4-dimethyl-valeric acid
CAS Registry Number 503-53-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O3
InChI InChI=1S/C7H12O3/c1-7(2,5-8)4-3-6(9)10/h5H,3-4H2,1-2H3,(H,9,10)
InChIKey LIGPUSYDSVJBCU-UHFFFAOYSA-N
Molecular Weight 144.170 g/mol
SMILES OC(=O)CCC(C=O)(C)C
SPLASH splash10-052f-9000000000-eedb9fe1140e17ae1f06
Source of Spectrum IC-203-0-0
Wiley ID 1142367