| SpectraBase Compound ID | CHqMZCJ33rj |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-5-11-6-8-12(9-7-11)13(15)16-10-14(2,3)4/h6-9H,5,10H2,1-4H3 |
| InChIKey | QQERUDMQWULXOC-UHFFFAOYSA-N |
| Mol Weight | 220.31 g/mol |
| Molecular Formula | C14H20O2 |
| Exact Mass | 220.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FR9yqrKYzpW |
|---|---|
| Name | 4-Ethylbenzoic acid, 2,2-dimethylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.146329882 u |
| Formula | C14H20O2 |
| InChI | InChI=1S/C14H20O2/c1-5-11-6-8-12(9-7-11)13(15)16-10-14(2,3)4/h6-9H,5,10H2,1-4H3 |
| InChIKey | QQERUDMQWULXOC-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C(OC(C=1C=CC(=CC1)CC)=O)C(C)(C)C |