| SpectraBase Compound ID | Y6iQxBHjzN |
|---|---|
| InChI | InChI=1S/C14H28O2/c1-7-12(8-2)13(15)16-10-11(3)9-14(4,5)6/h11-12H,7-10H2,1-6H3 |
| InChIKey | WLQKSHVRTDKBAH-UHFFFAOYSA-N |
| Mol Weight | 228.38 g/mol |
| Molecular Formula | C14H28O2 |
| Exact Mass | 228.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D9JOO89qYL9 |
|---|---|
| Name | 2-Ethylbutyric acid, 2,4,4-trimethylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.208930140 u |
| Formula | C14H28O2 |
| InChI | InChI=1S/C14H28O2/c1-7-12(8-2)13(15)16-10-11(3)9-14(4,5)6/h11-12H,7-10H2,1-6H3 |
| InChIKey | WLQKSHVRTDKBAH-UHFFFAOYSA-N |
| Molecular Weight | 228.376 g/mol |
| SMILES | C(=O)(OCC(CC(C)(C)C)C)C(CC)CC |