| SpectraBase Compound ID | CjpwYz8vPdM |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-2-3-7-14-21-17(19)12-13-18(20)22-15-8-11-16-9-5-4-6-10-16/h4-6,9-10,12-13H,2-3,7-8,11,14-15H2,1H3/b13-12+ |
| InChIKey | HPXGFVMIZMDPFM-OUKQBFOZSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C18H24O4 |
| Exact Mass | 304.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KsQcMuDv5ou |
|---|---|
| Name | Fumaric acid, pentyl 3-phenylpropyl 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/c1-2-3-7-14-21-17(19)12-13-18(20)22-15-8-11-16-9-5-4-6-10-16/h4-6,9-10,12-13H,2-3,7-8,11,14-15H2,1H3/b13-12+ |
| InChIKey | HPXGFVMIZMDPFM-OUKQBFOZSA-N |
| SMILES | C(\C=C\C(OCCCCC)=O)(OCCCC1=CC=CC=C1)=O |