| SpectraBase Compound ID | CLzd4B6p14Y |
|---|---|
| InChI | InChI=1S/C16H20O4/c1-4-5-10-19-15(17)8-9-16(18)20-14-7-6-12(2)13(3)11-14/h6-9,11H,4-5,10H2,1-3H3/b9-8+ |
| InChIKey | WHDTYQUEAYDRKV-CMDGGOBGSA-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 | Ius6P4inaVP |
|---|---|
| Name | Fumaric acid, butyl 3,4-dimethylphenyl 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/c1-4-5-10-19-15(17)8-9-16(18)20-14-7-6-12(2)13(3)11-14/h6-9,11H,4-5,10H2,1-3H3/b9-8+ |
| InChIKey | WHDTYQUEAYDRKV-CMDGGOBGSA-N |
| SMILES | C(\C=C\C(OC1=CC=C(C)C(C)=C1)=O)(OCCCC)=O |