SpectraBase Compound ID | CXbPv34KjpC |
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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 |
SpectraBase Spectrum ID | GHQHruKyOHF |
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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 |