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Phenylacetic acid, 2,2-dimethylpropyl ester
SpectraBase Compound ID CXbPv34KjpC
InChI InChI=1S/C13H18O2/c1-13(2,3)10-15-12(14)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey YQBKQCUGCCQFIH-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GHQHruKyOHF
Name Phenylacetic acid, 2,2-dimethylpropyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.130679818 u
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-13(2,3)10-15-12(14)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey YQBKQCUGCCQFIH-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES C1=CC(CC(=O)OCC(C)(C)C)=CC=C1