| SpectraBase Compound ID | FbBLQ8geIAn |
|---|---|
| InChI | InChI=1S/C7H5ClINO/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H2,10,11) |
| InChIKey | MKLMHLAPROCPET-UHFFFAOYSA-N |
| Mol Weight | 281.48 g/mol |
| Molecular Formula | C7H5ClINO |
| Exact Mass | 280.910436 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CAuRJ4eywYr |
|---|---|
| Name | 2-Chloro-5-iodobenzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.910436484 u |
| Formula | C7H5ClINO |
| InChI | InChI=1S/C7H5ClINO/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H2,10,11) |
| InChIKey | MKLMHLAPROCPET-UHFFFAOYSA-N |
| Molecular Weight | 281.480 g/mol |
| SMILES | C1(=C(C=C(C=C1)I)C(N)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.893479 |