| SpectraBase Compound ID | 53cp7GJKLt6 |
|---|---|
| InChI | InChI=1S/C8H10Cl2O4/c9-3-5-13-7(11)1-2-8(12)14-6-4-10/h1-2H,3-6H2/b2-1+ |
| InChIKey | NUZFFMJRNXNVCA-OWOJBTEDSA-N |
| Mol Weight | 241.07 g/mol |
| Molecular Formula | C8H10Cl2O4 |
| Exact Mass | 239.995614 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9zt7rXPqqCO |
|---|---|
| Name | Fumaric acid, di(2-chloroethyl) ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.995614198 u |
| Formula | C8H10Cl2O4 |
| InChI | InChI=1S/C8H10Cl2O4/c9-3-5-13-7(11)1-2-8(12)14-6-4-10/h1-2H,3-6H2/b2-1+ |
| InChIKey | NUZFFMJRNXNVCA-OWOJBTEDSA-N |
| Molecular Weight | 241.070 g/mol |
| SMILES | C(COC(\C=C\C(OCCCl)=O)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973384 |