| SpectraBase Compound ID | 7sM7EvhQ8Un |
|---|---|
| InChI | InChI=1S/C16H20O5/c1-3-4-11-20-15(17)9-10-16(18)21-12-13-5-7-14(19-2)8-6-13/h5-10H,3-4,11-12H2,1-2H3/b10-9+ |
| InChIKey | YAXJLUSFJLAPMW-MDZDMXLPSA-N |
| Mol Weight | 292.33 g/mol |
| Molecular Formula | C16H20O5 |
| Exact Mass | 292.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6YvybGMepV8 |
|---|---|
| Name | Fumaric acid, butyl 4-methoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.131073739 u |
| Formula | C16H20O5 |
| InChI | InChI=1S/C16H20O5/c1-3-4-11-20-15(17)9-10-16(18)21-12-13-5-7-14(19-2)8-6-13/h5-10H,3-4,11-12H2,1-2H3/b10-9+ |
| InChIKey | YAXJLUSFJLAPMW-MDZDMXLPSA-N |
| SMILES | C(\C=C\C(OCC1=CC=C(OC)C=C1)=O)(OCCCC)=O |