| SpectraBase Compound ID | tWc0Wlof6v |
|---|---|
| InChI | InChI=1S/C16H20O4/c1-5-19-14(17)10-11-15(18)20-13-9-7-6-8-12(13)16(2,3)4/h6-11H,5H2,1-4H3/b11-10+ |
| InChIKey | GLVSVVNZYAUSMI-ZHACJKMWSA-N |
| Mol Weight | 276.33 g/mol |
| Molecular Formula | C16H20O4 |
| Exact Mass | 276.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6crxQxJPwn6 |
|---|---|
| Name | Fumaric acid, ethyl 2-tert-butylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.136159120 u |
| Formula | C16H20O4 |
| InChI | InChI=1S/C16H20O4/c1-5-19-14(17)10-11-15(18)20-13-9-7-6-8-12(13)16(2,3)4/h6-11H,5H2,1-4H3/b11-10+ |
| InChIKey | GLVSVVNZYAUSMI-ZHACJKMWSA-N |
| SMILES | C(\C=C\C(OCC)=O)(OC1=CC=CC=C1C(C)(C)C)=O |