| SpectraBase Spectrum ID |
KU4DOuQVFO6 |
| Name |
Terephthalic acid, 2,2-dichloroethyl hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.073864520 u |
| Formula |
C16H20Cl2O4 |
| InChI |
InChI=1S/C16H20Cl2O4/c1-2-3-4-5-10-21-15(19)12-6-8-13(9-7-12)16(20)22-11-14(17)18/h6-9,14H,2-5,10-11H2,1H3 |
| InChIKey |
PLWSOSCJUKVFBC-UHFFFAOYSA-N |
| Molecular Weight |
347.238 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCCCCCC)=O)C(OCC(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851017 |
