| SpectraBase Compound ID | DNIFYXMzasy |
|---|---|
| InChI | InChI=1S/C18H24O5/c1-3-22-17(19)9-10-18(20)23-14-12-16(11-13-21-2)15-7-5-4-6-8-15/h4-10,16H,3,11-14H2,1-2H3/b10-9+ |
| InChIKey | IIWFOUCDAWBYTB-MDZDMXLPSA-N |
| Mol Weight | 320.39 g/mol |
| Molecular Formula | C18H24O5 |
| Exact Mass | 320.162374 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | kQjUDOt7AI |
|---|---|
| Name | Fumaric acid, ethyl 5-methoxy-3-phenylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.162373868 u |
| Formula | C18H24O5 |
| InChI | InChI=1S/C18H24O5/c1-3-22-17(19)9-10-18(20)23-14-12-16(11-13-21-2)15-7-5-4-6-8-15/h4-10,16H,3,11-14H2,1-2H3/b10-9+ |
| InChIKey | IIWFOUCDAWBYTB-MDZDMXLPSA-N |
| Molecular Weight | 320.385 g/mol |
| SMILES | C(\C=C\C(OCCC(C1=CC=CC=C1)CCOC)=O)(OCC)=O |