| SpectraBase Compound ID | 8b8oXGuWUjW |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-13(2,3)12(15)16-9-8-10-4-6-11(14)7-5-10/h4-7,14H,8-9H2,1-3H3 |
| InChIKey | FXQUHVDAKZNNNX-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jc6sYrXOJUG |
|---|---|
| Name | 2,2-Dimethylpropanoic acid 2-(4-hydroxyphenyl)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-13(2,3)12(15)16-9-8-10-4-6-11(14)7-5-10/h4-7,14H,8-9H2,1-3H3 |
| InChIKey | FXQUHVDAKZNNNX-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C(C(C)(C)C)(=O)OCCC1=CC=C(C=C1)O |