| SpectraBase Spectrum ID |
7hY4utblrwb |
| Name |
Terephthalic acid, 3-chlorophenyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.050236595 u |
| Formula |
C16H13ClO4 |
| InChI |
InChI=1S/C16H13ClO4/c1-2-20-15(18)11-6-8-12(9-7-11)16(19)21-14-5-3-4-13(17)10-14/h3-10H,2H2,1H3 |
| InChIKey |
ZCQQNLZCCYYKJN-UHFFFAOYSA-N |
| Molecular Weight |
304.729 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OCC)=O)C(OC=1C=CC=C(C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843192 |
