| SpectraBase Compound ID | HbPd8EFrIwU |
|---|---|
| InChI | InChI=1S/C19H26O5/c1-3-13-23-18(20)9-10-19(21)24-15-12-17(11-14-22-2)16-7-5-4-6-8-16/h4-10,17H,3,11-15H2,1-2H3/b10-9+ |
| InChIKey | UKRNMFPRXJSCIP-MDZDMXLPSA-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 | FUTGjPAwk4W |
|---|---|
| Name | Fumaric acid, 5-methoxy-3-phenylpentyl propyl 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/c1-3-13-23-18(20)9-10-19(21)24-15-12-17(11-14-22-2)16-7-5-4-6-8-16/h4-10,17H,3,11-15H2,1-2H3/b10-9+ |
| InChIKey | UKRNMFPRXJSCIP-MDZDMXLPSA-N |
| Molecular Weight | 334.412 g/mol |
| SMILES | C(OCCC(CCOC)C1=CC=CC=C1)(\C=C\C(OCCC)=O)=O |