| SpectraBase Spectrum ID |
CwkCiszvNbx |
| Name |
Terephthalic 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/c21-15-5-1-3-7-17(15)25-19(23)13-9-11-14(12-10-13)20(24)26-18-8-4-2-6-16(18)22/h1-12H |
| InChIKey |
AFUWEWUKLMWNRF-UHFFFAOYSA-N |
| Molecular Weight |
387.218 g/mol |
| SMILES |
C1=CC(Cl)=C(OC(=O)C2=CC=C(C=C2)C(=O)OC2=CC=CC=C2Cl)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885072 |
