| SpectraBase Spectrum ID |
JdzXiTKZW1U |
| Name |
Isophthalic acid, 2,5-dichlorophenyl ethyl ester |
| 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/c1-2-21-15(19)10-4-3-5-11(8-10)16(20)22-14-9-12(17)6-7-13(14)18/h3-9H,2H2,1H3 |
| InChIKey |
GJRJFCUEDNCZHQ-UHFFFAOYSA-N |
| Molecular Weight |
339.174 g/mol |
| SMILES |
C1=CC(=C(C=C1Cl)OC(C1=CC(C(OCC)=O)=CC=C1)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928256 |
