| SpectraBase Compound ID | GXBlQYTQg4U |
|---|---|
| InChI | InChI=1S/C16H10Cl2O4/c17-11-1-5-13(6-2-11)21-15(19)9-10-16(20)22-14-7-3-12(18)4-8-14/h1-10H/b10-9+ |
| InChIKey | COWKKVFNJVMJNI-MDZDMXLPSA-N |
| Mol Weight | 337.16 g/mol |
| Molecular Formula | C16H10Cl2O4 |
| Exact Mass | 335.995614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HTAJchZT5Y5 |
|---|---|
| Name | Fumaric acid, di(4-chlorophenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.995614198 u |
| Formula | C16H10Cl2O4 |
| InChI | InChI=1S/C16H10Cl2O4/c17-11-1-5-13(6-2-11)21-15(19)9-10-16(20)22-14-7-3-12(18)4-8-14/h1-10H/b10-9+ |
| InChIKey | COWKKVFNJVMJNI-MDZDMXLPSA-N |
| Molecular Weight | 337.158 g/mol |
| SMILES | C1(=CC=C(C=C1)OC(\C=C\C(OC1=CC=C(C=C1)Cl)=O)=O)Cl |