| SpectraBase Compound ID | B1IxS41eUSM |
|---|---|
| InChI | InChI=1S/C16H28O5/c1-4-5-6-7-11-20-15(17)8-9-16(18)21-13-14(2)10-12-19-3/h8-9,14H,4-7,10-13H2,1-3H3/b9-8+ |
| InChIKey | OFGCUEBOAYYBJD-CMDGGOBGSA-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 | 8E5tMP9EXc6 |
|---|---|
| Name | Fumaric acid, hexyl 2-methyl-4-methoxybutyl 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/c1-4-5-6-7-11-20-15(17)8-9-16(18)21-13-14(2)10-12-19-3/h8-9,14H,4-7,10-13H2,1-3H3/b9-8+ |
| InChIKey | OFGCUEBOAYYBJD-CMDGGOBGSA-N |
| Molecular Weight | 300.395 g/mol |
| SMILES | C(OCC(CCOC)C)(\C=C\C(OCCCCCC)=O)=O |