| SpectraBase Compound ID | GLhNIugIoaD |
|---|---|
| InChI | InChI=1S/C13H22O4/c1-6-16-11(14)7-8-12(15)17-13(9(2)3)10(4)5/h7-10,13H,6H2,1-5H3/b8-7+ |
| InChIKey | DYBLWEWBQMIHGS-BQYQJAHWSA-N |
| Mol Weight | 242.31 g/mol |
| Molecular Formula | C13H22O4 |
| Exact Mass | 242.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A5jjvGX3Z81 |
|---|---|
| Name | Fumaric acid, 2,4-dimethylpent-3-yl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.151809184 u |
| Formula | C13H22O4 |
| InChI | InChI=1S/C13H22O4/c1-6-16-11(14)7-8-12(15)17-13(9(2)3)10(4)5/h7-10,13H,6H2,1-5H3/b8-7+ |
| InChIKey | DYBLWEWBQMIHGS-BQYQJAHWSA-N |
| Molecular Weight | 242.315 g/mol |
| SMILES | C(OC(C(C)C)C(C)C)(\C=C\C(OCC)=O)=O |