| SpectraBase Compound ID | ETCKUCYxFMl |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-5-15-11(13)6-7-12(14)16-10(4)8-9(2)3/h6-7,9-10H,5,8H2,1-4H3/b7-6+ |
| InChIKey | JAZFCTLILMMPCA-VOTSOKGWSA-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 | LkQgqvxoedD |
|---|---|
| Name | Fumaric acid, ethyl 4-methylpent-2-yl 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/c1-5-15-11(13)6-7-12(14)16-10(4)8-9(2)3/h6-7,9-10H,5,8H2,1-4H3/b7-6+ |
| InChIKey | JAZFCTLILMMPCA-VOTSOKGWSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | C(OC(C)CC(C)C)(\C=C\C(OCC)=O)=O |