| SpectraBase Compound ID | DzJ3fxjqQNM |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-4-13(5-2)14(15)16-10-12-8-6-7-11(3)9-12/h6-9,13H,4-5,10H2,1-3H3 |
| InChIKey | NEYAYNQLBYCIBF-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 | GlS9JGU5YT6 |
|---|---|
| Name | 2-Ethylbutyric acid, 3-methylbenzyl 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/c1-4-13(5-2)14(15)16-10-12-8-6-7-11(3)9-12/h6-9,13H,4-5,10H2,1-3H3 |
| InChIKey | NEYAYNQLBYCIBF-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C(=O)(OCC1=CC(C)=CC=C1)C(CC)CC |