| SpectraBase Compound ID | 2I4yDjvzJcx |
|---|---|
| InChI | InChI=1S/C19H26O6/c1-5-6-7-9-14(2)24-17(20)12-13-18(21)25-19-15(22-3)10-8-11-16(19)23-4/h8,10-14H,5-7,9H2,1-4H3/b13-12+ |
| InChIKey | XUKXZSKZBQHYNZ-OUKQBFOZSA-N |
| Mol Weight | 350.41 g/mol |
| Molecular Formula | C19H26O6 |
| Exact Mass | 350.172939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4yim9ljFx1R |
|---|---|
| Name | Fumaric acid, 2,6-dimethoxyphenyl hept-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.172938551 u |
| Formula | C19H26O6 |
| InChI | InChI=1S/C19H26O6/c1-5-6-7-9-14(2)24-17(20)12-13-18(21)25-19-15(22-3)10-8-11-16(19)23-4/h8,10-14H,5-7,9H2,1-4H3/b13-12+ |
| InChIKey | XUKXZSKZBQHYNZ-OUKQBFOZSA-N |
| Molecular Weight | 350.411 g/mol |
| SMILES | C(\C=C\C(OC(C)CCCCC)=O)(OC1=C(C=CC=C1OC)OC)=O |