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Butanoic acid, 3-oxo-, 1-(1,1-dimethylethyl)-2,2-dimethylpropyl ester
SpectraBase Compound ID 7R6Iph2ywjr
InChI InChI=1S/C13H24O3/c1-9(14)8-10(15)16-11(12(2,3)4)13(5,6)7/h11H,8H2,1-7H3
InChIKey XYHMZJPNANJILO-UHFFFAOYSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTreAk2OrVy
Name Butanoic acid, 3-oxo-, 1-(1,1-dimethylethyl)-2,2-dimethylpropyl ester
Alternate Name(s) 1-tert-Butyl-2,2-dimethylpropyl 3-oxobutanoate 2,2,4,4-Tetramethyl-3-penyl 3-oxobutanoate
CAS Registry Number 103142-56-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-9(14)8-10(15)16-11(12(2,3)4)13(5,6)7/h11H,8H2,1-7H3
InChIKey XYHMZJPNANJILO-UHFFFAOYSA-N
Molecular Weight 228.332 g/mol
SMILES C(CC(=O)C)(OC(C(C)(C)C)C(C)(C)C)=O
SPLASH splash10-052u-9000000000-71cdd979f299897061ad
Source of Spectrum I-64-591-49
Wiley ID 1229771