| SpectraBase Compound ID | Prdmznkcm9 |
|---|---|
| InChI | InChI=1S/C15H18O5/c1-3-10-19-14(16)8-9-15(17)20-11-12-4-6-13(18-2)7-5-12/h4-9H,3,10-11H2,1-2H3/b9-8+ |
| InChIKey | ZBAQOBZIRPYPSI-CMDGGOBGSA-N |
| Mol Weight | 278.3 g/mol |
| Molecular Formula | C15H18O5 |
| Exact Mass | 278.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FxUk6UvtwB1 |
|---|---|
| Name | Fumaric acid, 4-methoxybenzyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.115423675 u |
| Formula | C15H18O5 |
| InChI | InChI=1S/C15H18O5/c1-3-10-19-14(16)8-9-15(17)20-11-12-4-6-13(18-2)7-5-12/h4-9H,3,10-11H2,1-2H3/b9-8+ |
| InChIKey | ZBAQOBZIRPYPSI-CMDGGOBGSA-N |
| SMILES | C(\C=C\C(OCCC)=O)(OCC1=CC=C(OC)C=C1)=O |