| SpectraBase Compound ID | 2JPf3j17wfV |
|---|---|
| InChI | InChI=1S/C19H26O5/c1-3-4-5-6-7-14-23-18(20)12-13-19(21)24-15-16-8-10-17(22-2)11-9-16/h8-13H,3-7,14-15H2,1-2H3/b13-12+ |
| InChIKey | YOXLBMSAPXZURA-OUKQBFOZSA-N |
| Mol Weight | 334.41 g/mol |
| Molecular Formula | C19H26O5 |
| Exact Mass | 334.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H0BKnZcSgnQ |
|---|---|
| Name | Fumaric acid, heptyl 4-methoxybenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.178023932 u |
| Formula | C19H26O5 |
| InChI | InChI=1S/C19H26O5/c1-3-4-5-6-7-14-23-18(20)12-13-19(21)24-15-16-8-10-17(22-2)11-9-16/h8-13H,3-7,14-15H2,1-2H3/b13-12+ |
| InChIKey | YOXLBMSAPXZURA-OUKQBFOZSA-N |
| Molecular Weight | 334.412 g/mol |
| SMILES | CCCCCCCOC(\C=C\C(OCC1=CC=C(OC)C=C1)=O)=O |