| SpectraBase Spectrum ID |
FhEU0buF25w |
| Name |
Terephthalic acid, 2-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)11-7-9-12(10-8-11)16(19)21-14-6-4-3-5-13(14)17/h3-10H,2H2,1H3 |
| InChIKey |
JAEUAAHYZVVFPZ-UHFFFAOYSA-N |
| Molecular Weight |
304.729 g/mol |
| SMILES |
C(OC(=O)C1=CC=C(C=C1)C(=O)OC1=C(C=CC=C1)Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874198 |
