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Hexanoic acid, 3,3-dimethyl-5-oxo-
SpectraBase Compound ID Hi1XoDhDfwM
InChI InChI=1S/C8H14O3/c1-6(9)4-8(2,3)5-7(10)11/h4-5H2,1-3H3,(H,10,11)
InChIKey SLBXWQKHHZUDAY-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 1k1ovNoSGf0
Name Hexanoic acid, 3,3-dimethyl-5-oxo-
Alternate Name(s) 3,3-Dimethyl-5-oxidanylidene-hexanoic acid 3,3-Dimethyl-5-oxo-hexanoic acid 5-keto-3,3-dimethyl-hexanoic acid
CAS Registry Number 20624-63-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3
InChI InChI=1S/C8H14O3/c1-6(9)4-8(2,3)5-7(10)11/h4-5H2,1-3H3,(H,10,11)
InChIKey SLBXWQKHHZUDAY-UHFFFAOYSA-N
Molecular Weight 158.197 g/mol
SMILES OC(=O)CC(CC(=O)C)(C)C
SPLASH splash10-0006-9100000000-5525259947261219f5b9
Source of Spectrum J-52-691-10
Wiley ID 1155239