| SpectraBase Compound ID | DFKNl3cMfnp |
|---|---|
| InChI | InChI=1S/C17H30O5/c1-4-5-6-7-12-21-16(18)8-9-17(19)22-14-11-15(2)10-13-20-3/h8-9,15H,4-7,10-14H2,1-3H3/b9-8+ |
| InChIKey | OJPDRCLBGVIBOP-CMDGGOBGSA-N |
| Mol Weight | 314.42 g/mol |
| Molecular Formula | C17H30O5 |
| Exact Mass | 314.209324 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 | L1eFcQXluYa |
|---|---|
| Name | Fumaric acid, hexyl 5-methoxy-3-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.209324061 u |
| Formula | C17H30O5 |
| InChI | InChI=1S/C17H30O5/c1-4-5-6-7-12-21-16(18)8-9-17(19)22-14-11-15(2)10-13-20-3/h8-9,15H,4-7,10-14H2,1-3H3/b9-8+ |
| InChIKey | OJPDRCLBGVIBOP-CMDGGOBGSA-N |
| SMILES | C(\C=C\C(OCCCCCC)=O)(OCCC(CCOC)C)=O |