| SpectraBase Compound ID | AKz81S8obXH |
|---|---|
| InChI | InChI=1S/C21H22O4/c1-2-3-9-16-24-20(22)14-15-21(23)25-19-13-8-7-12-18(19)17-10-5-4-6-11-17/h4-8,10-15H,2-3,9,16H2,1H3/b15-14+ |
| InChIKey | MTBKZXLIMGXPSA-CCEZHUSRSA-N |
| Mol Weight | 338.4 g/mol |
| Molecular Formula | C21H22O4 |
| Exact Mass | 338.151809 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 | LmwoEhLMYEh |
|---|---|
| Name | Fumaric acid, pentyl 2-phenylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.151809184 u |
| Formula | C21H22O4 |
| InChI | InChI=1S/C21H22O4/c1-2-3-9-16-24-20(22)14-15-21(23)25-19-13-8-7-12-18(19)17-10-5-4-6-11-17/h4-8,10-15H,2-3,9,16H2,1H3/b15-14+ |
| InChIKey | MTBKZXLIMGXPSA-CCEZHUSRSA-N |
| Molecular Weight | 338.403 g/mol |
| SMILES | CCCCCOC(\C=C\C(OC1=CC=CC=C1C1=CC=CC=C1)=O)=O |