| SpectraBase Compound ID | JJEdJw5ZRQV |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-3-5-6-7-8-10-16-12(14)11(13)15-9-4-2/h4H,2-3,5-10H2,1H3 |
| InChIKey | FKPGLWVXNMAVFG-UHFFFAOYSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C12H20O4 |
| Exact Mass | 228.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FVDEyDgHNZf |
|---|---|
| Name | Oxalic acid, allyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.136159120 u |
| Formula | C12H20O4 |
| InChI | InChI=1S/C12H20O4/c1-3-5-6-7-8-10-16-12(14)11(13)15-9-4-2/h4H,2-3,5-10H2,1H3 |
| InChIKey | FKPGLWVXNMAVFG-UHFFFAOYSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | CCCCCCCOC(C(=O)OCC=C)=O |