| SpectraBase Compound ID | 7WLsasYO8ia |
|---|---|
| InChI | InChI=1S/C14H23ClO4/c1-12(2)11-19-14(17)8-7-13(16)18-10-6-4-3-5-9-15/h7-8,12H,3-6,9-11H2,1-2H3/b8-7+ |
| InChIKey | IZZPLRZONJCKPW-BQYQJAHWSA-N |
| Mol Weight | 290.79 g/mol |
| Molecular Formula | C14H23ClO4 |
| Exact Mass | 290.128487 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 | GoVfdRdpHc4 |
|---|---|
| Name | Fumaric acid, 6-chlorohexyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.128486917 u |
| Formula | C14H23ClO4 |
| InChI | InChI=1S/C14H23ClO4/c1-12(2)11-19-14(17)8-7-13(16)18-10-6-4-3-5-9-15/h7-8,12H,3-6,9-11H2,1-2H3/b8-7+ |
| InChIKey | IZZPLRZONJCKPW-BQYQJAHWSA-N |
| SMILES | C(\C=C\C(OCCCCCCCl)=O)(OCC(C)C)=O |