| SpectraBase Compound ID | 2fR9MsXpYaN |
|---|---|
| InChI | InChI=1S/C16H28O5/c1-4-5-6-11-20-15(17)7-8-16(18)21-13-10-14(2)9-12-19-3/h7-8,14H,4-6,9-13H2,1-3H3/b8-7+ |
| InChIKey | JLQCGCCEAOXYNK-BQYQJAHWSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C16H28O5 |
| Exact Mass | 300.193674 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 | GPOnY8BkQUA |
|---|---|
| Name | Fumaric acid, 5-methoxy-3-methylpentyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.193673997 u |
| Formula | C16H28O5 |
| InChI | InChI=1S/C16H28O5/c1-4-5-6-11-20-15(17)7-8-16(18)21-13-10-14(2)9-12-19-3/h7-8,14H,4-6,9-13H2,1-3H3/b8-7+ |
| InChIKey | JLQCGCCEAOXYNK-BQYQJAHWSA-N |
| Molecular Weight | 300.395 g/mol |
| SMILES | CCCCCOC(\C=C\C(OCCC(CCOC)C)=O)=O |