| SpectraBase Compound ID | EMsK5AR7Ao2 |
|---|---|
| InChI | InChI=1S/C7H4ClIO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11) |
| InChIKey | GEBYSTBEDVQOTK-UHFFFAOYSA-N |
| Mol Weight | 282.46 g/mol |
| Molecular Formula | C7H4ClIO2 |
| Exact Mass | 281.894452 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9V8u3vaDD6H |
|---|---|
| Name | 2-Chloro-5-iodobenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.894452067 u |
| Formula | C7H4ClIO2 |
| InChI | InChI=1S/C7H4ClIO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11) |
| InChIKey | GEBYSTBEDVQOTK-UHFFFAOYSA-N |
| Molecular Weight | 282.464 g/mol |
| SMILES | C1(=C(C=C(C=C1)I)C(O)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980959 |