| SpectraBase Spectrum ID |
5eej7SXhhZJ |
| Name |
Dimethyl 4-[2'-(chlorocarbonyl)ethenyl]benzene-1,2-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
282.029501149 u |
| Formula |
C13H11ClO5 |
| InChI |
InChI=1S/C13H11ClO5/c1-18-12(16)9-5-3-8(4-6-11(14)15)7-10(9)13(17)19-2/h3-7H,1-2H3/b6-4+ |
| InChIKey |
VKGWGDIKYCSNCR-GQCTYLIASA-N |
| Molecular Weight |
282.679 g/mol |
| SMILES |
C=1(C(C(=O)OC)=CC=C(\C=C\C(=O)Cl)C1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89749 |
![Dimethyl 4-[2'-(chlorocarbonyl)ethenyl]benzene-1,2-dicarboxylate](/api/spectrum/5eej7SXhhZJ/structure.png?h=300&w=458 "Dimethyl 4-[2'-(chlorocarbonyl)ethenyl]benzene-1,2-dicarboxylate")
