| SpectraBase Compound ID | Glc1WOKN2Vq |
|---|---|
| InChI | InChI=1S/C8H5ClO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13) |
| InChIKey | APLYBKHRTXFIBT-UHFFFAOYSA-N |
| Mol Weight | 200.58 g/mol |
| Molecular Formula | C8H5ClO4 |
| Exact Mass | 199.987636 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KZYDdCWGJAB |
|---|---|
| Name | 1,3-Benzenedicarboxylic acid, 4-chloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.987636337 u |
| Formula | C8H5ClO4 |
| InChI | InChI=1S/C8H5ClO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13) |
| InChIKey | APLYBKHRTXFIBT-UHFFFAOYSA-N |
| Molecular Weight | 200.577 g/mol |
| SMILES | C(O)(=O)C1=CC=C(C(=C1)C(O)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.82412 |