![Acetic acid, [4-(1,1-dimethylethyl)phenoxy]-, methyl ester](/api/spectrum/1yNmKZeupiG/structure.png?h=300&w=458 "Acetic acid, [4-(1,1-dimethylethyl)phenoxy]-, methyl ester")
| SpectraBase Compound ID | Tj3LFeAYhQ |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-13(2,3)10-5-7-11(8-6-10)16-9-12(14)15-4/h5-8H,9H2,1-4H3 |
| InChIKey | OWLZIJMSCPKFJJ-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 | 1yNmKZeupiG |
|---|---|
| Name | Acetic acid, [4-(1,1-dimethylethyl)phenoxy]-, methyl 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)10-5-7-11(8-6-10)16-9-12(14)15-4/h5-8H,9H2,1-4H3 |
| InChIKey | OWLZIJMSCPKFJJ-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C1=C(C=CC(=C1)C(C)(C)C)OCC(OC)=O |