| SpectraBase Spectrum ID |
cJ3ZEpvrUe |
| Name |
Ethane-1,2-diyl bis(3-chlorobenzoate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.011264262 u |
| Formula |
C16H12Cl2O4 |
| InChI |
InChI=1S/C16H12Cl2O4/c17-13-5-1-3-11(9-13)15(19)21-7-8-22-16(20)12-4-2-6-14(18)10-12/h1-6,9-10H,7-8H2 |
| InChIKey |
IMXKCOSJBIGLJQ-UHFFFAOYSA-N |
| Molecular Weight |
339.174 g/mol |
| SMILES |
C(COC(=O)C1=CC=CC(=C1)Cl)OC(C1=CC(=CC=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864441 |
