| SpectraBase Compound ID | Lk9B82Y4n84 |
|---|---|
| InChI | InChI=1S/C8H5ClO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13) |
| InChIKey | BKFXSOCDAQACQM-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 | AgmscRW3xbn |
|---|---|
| Name | 3-Chlorphthalsaeure |
| 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/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,(H,10,11)(H,12,13) |
| InChIKey | BKFXSOCDAQACQM-UHFFFAOYSA-N |
| Molecular Weight | 200.577 g/mol |
| SMILES | C1(Cl)=CC=CC(C(=O)O)=C1C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.832913 |