| SpectraBase Spectrum ID |
2sMkRHEMB5j |
| Name |
(E,E)-1,4-Dichloro-2,5-diformylethenyl-3,6-dimethoxybenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.011264262 u |
| Formula |
C14H12Cl2O4 |
| InChI |
InChI=1S/C14H12Cl2O4/c1-19-13-9(5-3-7-17)12(16)14(20-2)10(11(13)15)6-4-8-18/h3-8H,1-2H3/b5-3+,6-4+ |
| InChIKey |
IXIKJQACTTWAEQ-GGWOSOGESA-N |
| Molecular Weight |
315.152 g/mol |
| SMILES |
C=1(C(=C(OC)C(=C(C1OC)Cl)\C=C\C=O)Cl)\C=C\C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927152 |
