| SpectraBase Compound ID | 7tRaVk4H6a1 |
|---|---|
| InChI | InChI=1S/C16H18O5/c1-12(2)10-11-20-15(17)8-9-16(18)21-14-6-4-13(19-3)5-7-14/h4-10H,11H2,1-3H3/b9-8+ |
| InChIKey | PTFNZNLIGKKOLQ-CMDGGOBGSA-N |
| Mol Weight | 290.31 g/mol |
| Molecular Formula | C16H18O5 |
| Exact Mass | 290.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4i5yV8koEC1 |
|---|---|
| Name | Fumaric acid, 4-methoxyphenyl 3-methylbut-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.115423675 u |
| Formula | C16H18O5 |
| InChI | InChI=1S/C16H18O5/c1-12(2)10-11-20-15(17)8-9-16(18)21-14-6-4-13(19-3)5-7-14/h4-10H,11H2,1-3H3/b9-8+ |
| InChIKey | PTFNZNLIGKKOLQ-CMDGGOBGSA-N |
| SMILES | C(\C=C\C(OCC=C(C)C)=O)(OC1=CC=C(C=C1)OC)=O |