| SpectraBase Spectrum ID |
FiQPwZVwwms |
| Name |
Terephthalic acid, di(2-chloropropyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.042564391 u |
| Formula |
C14H16Cl2O4 |
| InChI |
InChI=1S/C14H16Cl2O4/c1-9(15)7-19-13(17)11-3-5-12(6-4-11)14(18)20-8-10(2)16/h3-6,9-10H,7-8H2,1-2H3 |
| InChIKey |
ZOOAVOVMTQMWLW-UHFFFAOYSA-N |
| Molecular Weight |
319.184 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OCC(C)Cl)=O)C(OCC(C)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95854 |
