| SpectraBase Compound ID | LCEk7LwxqC7 |
|---|---|
| InChI | InChI=1S/C14H20O4/c1-11(2)7-9-17-13(15)5-6-14(16)18-10-8-12(3)4/h5-8H,9-10H2,1-4H3/b6-5+ |
| InChIKey | DKWUZHGNEXVLTE-AATRIKPKSA-N |
| Mol Weight | 252.31 g/mol |
| Molecular Formula | C14H20O4 |
| Exact Mass | 252.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CqjHGrApRmd |
|---|---|
| Name | Fumaric acid, di(3-methylbut-2-en-1-yl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.136159120 u |
| Formula | C14H20O4 |
| InChI | InChI=1S/C14H20O4/c1-11(2)7-9-17-13(15)5-6-14(16)18-10-8-12(3)4/h5-8H,9-10H2,1-4H3/b6-5+ |
| InChIKey | DKWUZHGNEXVLTE-AATRIKPKSA-N |
| Molecular Weight | 252.310 g/mol |
| SMILES | C(COC(\C=C\C(OCC=C(C)C)=O)=O)=C(C)C |