| SpectraBase Compound ID | JDOCvXSg3hD |
|---|---|
| InChI | InChI=1S/C10H9ClO3/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h3-6H,2H2,1H3 |
| InChIKey | POYHUEAWYYJRQL-UHFFFAOYSA-N |
| Mol Weight | 212.63 g/mol |
| Molecular Formula | C10H9ClO3 |
| Exact Mass | 212.024022 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1cW1jiuex7O |
|---|---|
| Name | Terephthalic acid, monochloride, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.024021847 u |
| Formula | C10H9ClO3 |
| InChI | InChI=1S/C10H9ClO3/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h3-6H,2H2,1H3 |
| InChIKey | POYHUEAWYYJRQL-UHFFFAOYSA-N |
| Molecular Weight | 212.632 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OCC)=O)C(Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928574 |