| SpectraBase Compound ID | DsLaO7aZ2Dn |
|---|---|
| InChI | InChI=1S/C15H18O5/c1-3-4-11-19-14(16)9-10-15(17)20-13-7-5-12(18-2)6-8-13/h5-10H,3-4,11H2,1-2H3/b10-9+ |
| InChIKey | PSPCXLLCXAQXGO-MDZDMXLPSA-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 | 4jNjPa0S08y |
|---|---|
| Name | Fumaric acid, butyl 4-methoxyphenyl 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/c1-3-4-11-19-14(16)9-10-15(17)20-13-7-5-12(18-2)6-8-13/h5-10H,3-4,11H2,1-2H3/b10-9+ |
| InChIKey | PSPCXLLCXAQXGO-MDZDMXLPSA-N |
| SMILES | C(\C=C\C(OC1=CC=C(OC)C=C1)=O)(OCCCC)=O |