| SpectraBase Compound ID | ARDqoiGo3Sl |
|---|---|
| InChI | InChI=1S/C11H16O4/c1-4-7-14-10(12)5-6-11(13)15-8-9(2)3/h4-6,9H,1,7-8H2,2-3H3/b6-5+ |
| InChIKey | UEMPRRXIBDWLPE-AATRIKPKSA-N |
| Mol Weight | 212.24 g/mol |
| Molecular Formula | C11H16O4 |
| Exact Mass | 212.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5RbVxZ1Vxx2 |
|---|---|
| Name | Fumaric acid, allyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.104858991 u |
| Formula | C11H16O4 |
| InChI | InChI=1S/C11H16O4/c1-4-7-14-10(12)5-6-11(13)15-8-9(2)3/h4-6,9H,1,7-8H2,2-3H3/b6-5+ |
| InChIKey | UEMPRRXIBDWLPE-AATRIKPKSA-N |
| Molecular Weight | 212.245 g/mol |
| SMILES | C(\C=C\C(=O)OCC=C)(OCC(C)C)=O |