| SpectraBase Compound ID | 60n5lvOiePh |
|---|---|
| InChI | InChI=1S/C18H23ClO4/c1-2-3-4-5-6-13-22-17(20)11-12-18(21)23-14-15-7-9-16(19)10-8-15/h7-12H,2-6,13-14H2,1H3/b12-11+ |
| InChIKey | XVTDKGZZDYJHSR-VAWYXSNFSA-N |
| Mol Weight | 338.83 g/mol |
| Molecular Formula | C18H23ClO4 |
| Exact Mass | 338.128487 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 | 5Hr0zgOELJh |
|---|---|
| Name | Fumaric acid, 4-chlorobenzyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.128486917 u |
| Formula | C18H23ClO4 |
| InChI | InChI=1S/C18H23ClO4/c1-2-3-4-5-6-13-22-17(20)11-12-18(21)23-14-15-7-9-16(19)10-8-15/h7-12H,2-6,13-14H2,1H3/b12-11+ |
| InChIKey | XVTDKGZZDYJHSR-VAWYXSNFSA-N |
| Molecular Weight | 338.831 g/mol |
| SMILES | C(\C=C\C(OCC1=CC=C(C=C1)Cl)=O)(OCCCCCCC)=O |