| SpectraBase Compound ID | RSoFx2lhuh |
|---|---|
| InChI | InChI=1S/C12H11ClO4/c1-2-16-11(14)7-8-12(15)17-10-5-3-9(13)4-6-10/h3-8H,2H2,1H3/b8-7+ |
| InChIKey | PFYVETUSXKTNAL-BQYQJAHWSA-N |
| Mol Weight | 254.67 g/mol |
| Molecular Formula | C12H11ClO4 |
| Exact Mass | 254.034587 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 | CYViGUvq0yA |
|---|---|
| Name | Fumaric acid, 4-chlorophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.034586530 u |
| Formula | C12H11ClO4 |
| InChI | InChI=1S/C12H11ClO4/c1-2-16-11(14)7-8-12(15)17-10-5-3-9(13)4-6-10/h3-8H,2H2,1H3/b8-7+ |
| InChIKey | PFYVETUSXKTNAL-BQYQJAHWSA-N |
| Molecular Weight | 254.669 g/mol |
| SMILES | C(\C=C\C(OCC)=O)(OC1=CC=C(C=C1)Cl)=O |