| SpectraBase Compound ID | BhK4rIgAQpg |
|---|---|
| InChI | InChI=1S/C18H23ClO4/c1-2-3-4-5-6-7-13-22-17(20)11-12-18(21)23-16-10-8-9-15(19)14-16/h8-12,14H,2-7,13H2,1H3/b12-11+ |
| InChIKey | ULUIDFAHJZJYLV-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 | 6hHUUej8Jds |
|---|---|
| Name | Fumaric acid, 3-chlorophenyl octyl 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/c1-2-3-4-5-6-7-13-22-17(20)11-12-18(21)23-16-10-8-9-15(19)14-16/h8-12,14H,2-7,13H2,1H3/b12-11+ |
| InChIKey | ULUIDFAHJZJYLV-VAWYXSNFSA-N |
| Molecular Weight | 338.831 g/mol |
| SMILES | C(\C=C\C(OC1=CC=CC(=C1)Cl)=O)(OCCCCCCCC)=O |