| SpectraBase Compound ID | 5m1wGCr2GTB |
|---|---|
| InChI | InChI=1S/C15H18O6/c1-4-10-20-13(16)8-9-14(17)21-15-11(18-2)6-5-7-12(15)19-3/h5-9H,4,10H2,1-3H3/b9-8+ |
| InChIKey | DFLSGOFSVZWSOB-CMDGGOBGSA-N |
| Mol Weight | 294.3 g/mol |
| Molecular Formula | C15H18O6 |
| Exact Mass | 294.110338 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EHJoQgQYMiQ |
|---|---|
| Name | Fumaric acid, 2,6-dimethoxyphenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.110338294 u |
| Formula | C15H18O6 |
| InChI | InChI=1S/C15H18O6/c1-4-10-20-13(16)8-9-14(17)21-15-11(18-2)6-5-7-12(15)19-3/h5-9H,4,10H2,1-3H3/b9-8+ |
| InChIKey | DFLSGOFSVZWSOB-CMDGGOBGSA-N |
| SMILES | C1(=C(C=CC=C1OC)OC)OC(\C=C\C(OCCC)=O)=O |