| SpectraBase Compound ID | Bem0Zwazyvu |
|---|---|
| InChI | InChI=1S/C16H20O5/c1-3-4-5-12-20-15(17)10-11-16(18)21-14-8-6-13(19-2)7-9-14/h6-11H,3-5,12H2,1-2H3/b11-10+ |
| InChIKey | PMEIJLUGYWMDCY-ZHACJKMWSA-N |
| Mol Weight | 292.33 g/mol |
| Molecular Formula | C16H20O5 |
| Exact Mass | 292.131074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BzqVLmprGvW |
|---|---|
| Name | Fumaric acid, 4-methoxyphenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.131073739 u |
| Formula | C16H20O5 |
| InChI | InChI=1S/C16H20O5/c1-3-4-5-12-20-15(17)10-11-16(18)21-14-8-6-13(19-2)7-9-14/h6-11H,3-5,12H2,1-2H3/b11-10+ |
| InChIKey | PMEIJLUGYWMDCY-ZHACJKMWSA-N |
| SMILES | C(\C=C\C(OC1=CC=C(OC)C=C1)=O)(OCCCCC)=O |