| SpectraBase Compound ID | IUfgMV1zipC |
|---|---|
| InChI | InChI=1S/C13H13ClO4/c1-2-17-12(15)7-8-13(16)18-9-10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3/b8-7+ |
| InChIKey | KKOATVZUSJANNE-BQYQJAHWSA-N |
| Mol Weight | 268.7 g/mol |
| Molecular Formula | C13H13ClO4 |
| Exact Mass | 268.050237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2oqSL0ynlSI |
|---|---|
| Name | Fumaric acid, 4-chlorobenzyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.050236595 u |
| Formula | C13H13ClO4 |
| InChI | InChI=1S/C13H13ClO4/c1-2-17-12(15)7-8-13(16)18-9-10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3/b8-7+ |
| InChIKey | KKOATVZUSJANNE-BQYQJAHWSA-N |
| Molecular Weight | 268.696 g/mol |
| SMILES | CCOC(\C=C\C(OCC1=CC=C(C=C1)Cl)=O)=O |