| SpectraBase Compound ID | 8Gk4YoDrsfd |
|---|---|
| InChI | InChI=1S/C6H3Cl2IN2O2/c7-2-1-3(8)6(11(12)13)4(9)5(2)10/h1H,10H2 |
| InChIKey | BCJXCOQSPQHXCY-UHFFFAOYSA-N |
| Mol Weight | 332.91 g/mol |
| Molecular Formula | C6H3Cl2IN2O2 |
| Exact Mass | 331.861628 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JHQs7VDVuKm |
|---|---|
| Name | 4,6-Dichloro-2-iodo-3-nitroaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.861627743 u |
| Formula | C6H3Cl2IN2O2 |
| InChI | InChI=1S/C6H3Cl2IN2O2/c7-2-1-3(8)6(11(12)13)4(9)5(2)10/h1H,10H2 |
| InChIKey | BCJXCOQSPQHXCY-UHFFFAOYSA-N |
| Molecular Weight | 332.912 g/mol |
| SMILES | C=1(N)C(=C(C(=CC1Cl)Cl)N(=O)=O)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.826298 |