| SpectraBase Compound ID | 6v5h8vuUci7 |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-4-12-5-7-13(8-6-12)14(15)16-10-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3 |
| InChIKey | BCQPRIPPUHVEFG-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 | BTJcifwLXDs |
|---|---|
| Name | 4-Ethylbenzoic acid, 3-methylbutyl 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/c1-4-12-5-7-13(8-6-12)14(15)16-10-9-11(2)3/h5-8,11H,4,9-10H2,1-3H3 |
| InChIKey | BCQPRIPPUHVEFG-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C(OC(C=1C=CC(=CC1)CC)=O)CC(C)C |