| SpectraBase Compound ID | 3bevKb2znej |
|---|---|
| InChI | InChI=1S/C11H18O4/c1-4-7-14-10(12)11(13)15-8-5-6-9(2)3/h4,9H,1,5-8H2,2-3H3 |
| InChIKey | KNJWSMNHPKJEFT-UHFFFAOYSA-N |
| Mol Weight | 214.26 g/mol |
| Molecular Formula | C11H18O4 |
| Exact Mass | 214.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8UkseBHabVC |
|---|---|
| Name | Oxalic acid, allyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.120509056 u |
| Formula | C11H18O4 |
| InChI | InChI=1S/C11H18O4/c1-4-7-14-10(12)11(13)15-8-5-6-9(2)3/h4,9H,1,5-8H2,2-3H3 |
| InChIKey | KNJWSMNHPKJEFT-UHFFFAOYSA-N |
| Molecular Weight | 214.261 g/mol |
| SMILES | C(C(=O)OCCCC(C)C)(=O)OCC=C |