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2,2-Dimethylbutanoic acid 2,2-dimethylpropyl ester
SpectraBase Compound ID JQfUDTa1SpV
InChI InChI=1S/C11H22O2/c1-7-11(5,6)9(12)13-8-10(2,3)4/h7-8H2,1-6H3
InChIKey FHLKNFHDRFWHPV-UHFFFAOYSA-N
Mol Weight 186.29 g/mol
Molecular Formula C11H22O2
Exact Mass 186.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AjNDRoiqf65
Name 2,2-Dimethylbutanoic acid 2,2-dimethylpropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 186.161979946 u
Formula C11H22O2
InChI InChI=1S/C11H22O2/c1-7-11(5,6)9(12)13-8-10(2,3)4/h7-8H2,1-6H3
InChIKey FHLKNFHDRFWHPV-UHFFFAOYSA-N
Molecular Weight 186.295 g/mol
SMILES C(C(CC)(C)C)(OCC(C)(C)C)=O