| SpectraBase Compound ID | 3UkE9gPW6Sr |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-3-5-8-14-21-17(19)12-13-18(20)22-16-11-7-6-10-15(16)9-4-2/h6-7,10-13H,3-5,8-9,14H2,1-2H3/b13-12+ |
| InChIKey | PUUUUMCDWXMZSN-OUKQBFOZSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C18H24O4 |
| Exact Mass | 304.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AjJKPl3rybI |
|---|---|
| Name | Fumaric acid, pentyl 2-propylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.167459249 u |
| Formula | C18H24O4 |
| InChI | InChI=1S/C18H24O4/c1-3-5-8-14-21-17(19)12-13-18(20)22-16-11-7-6-10-15(16)9-4-2/h6-7,10-13H,3-5,8-9,14H2,1-2H3/b13-12+ |
| InChIKey | PUUUUMCDWXMZSN-OUKQBFOZSA-N |
| SMILES | CCCC1=C(OC(\C=C\C(OCCCCC)=O)=O)C=CC=C1 |