| SpectraBase Spectrum ID |
GLdu5GUwFSI |
| Name |
Isophthalic 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 |
386.011264262 u |
| Formula |
C20H12Cl2O4 |
| InChI |
InChI=1S/C20H12Cl2O4/c21-15-8-1-3-10-17(15)25-19(23)13-6-5-7-14(12-13)20(24)26-18-11-4-2-9-16(18)22/h1-12H |
| InChIKey |
LAGGQUMAVSOYLA-UHFFFAOYSA-N |
| Molecular Weight |
387.218 g/mol |
| SMILES |
C1=C(C(=CC=C1)Cl)OC(C1=CC(=CC=C1)C(OC1=CC=CC=C1Cl)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904401 |
