| SpectraBase Compound ID | 6xQvYCXXGtN |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-5-12(6-2)14(15)16-13-9-7-8-10(3)11(13)4/h7-9,12H,5-6H2,1-4H3 |
| InChIKey | FUPUKKPGHSHCBB-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 | FU9jwxGykNu |
|---|---|
| Name | 2-Ethylbutyric acid, 2,3-dimethylphenyl 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/c1-5-12(6-2)14(15)16-13-9-7-8-10(3)11(13)4/h7-9,12H,5-6H2,1-4H3 |
| InChIKey | FUPUKKPGHSHCBB-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | CC1=C(C)C(OC(=O)C(CC)CC)=CC=C1 |