| SpectraBase Spectrum ID |
7bFiKU1kNsr |
| Name |
Fumaric acid, di(2-chlorophenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.995614198 u |
| Formula |
C16H10Cl2O4 |
| InChI |
InChI=1S/C16H10Cl2O4/c17-11-5-1-3-7-13(11)21-15(19)9-10-16(20)22-14-8-4-2-6-12(14)18/h1-10H/b10-9+ |
| InChIKey |
QAOSKUKLWLPBLU-MDZDMXLPSA-N |
| Molecular Weight |
337.158 g/mol |
| SMILES |
C(\C=C\C(OC1=C(C=CC=C1)Cl)=O)(OC1=C(C=CC=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979737 |
