| SpectraBase Compound ID | FnhaGDkIb7k |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-6-15-10(13)7-8-11(14)16-9(2)12(3,4)5/h7-9H,6H2,1-5H3/b8-7+ |
| InChIKey | FGMPNDDYAKNOAP-BQYQJAHWSA-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 | 1eGZTCnfRIE |
|---|---|
| Name | Fumaric acid, 3,3-dimethylbut-2-yl ethyl 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/c1-6-15-10(13)7-8-11(14)16-9(2)12(3,4)5/h7-9H,6H2,1-5H3/b8-7+ |
| InChIKey | FGMPNDDYAKNOAP-BQYQJAHWSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | C(OC(C(C)(C)C)C)(\C=C\C(OCC)=O)=O |