| SpectraBase Compound ID | Bussp6ASYBu |
|---|---|
| InChI | InChI=1S/C8H8Cl3N/c1-3-5(9)4(2)8(12)7(11)6(3)10/h12H2,1-2H3 |
| InChIKey | IAOKARFBYJVLNJ-UHFFFAOYSA-N |
| Mol Weight | 224.52 g/mol |
| Molecular Formula | C8H8Cl3N |
| Exact Mass | 222.972232 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8OKjhUCcXev |
|---|---|
| Name | 2,3,5-Trichloro-4,6-dimethylaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.972232362 u |
| Formula | C8H8Cl3N |
| InChI | InChI=1S/C8H8Cl3N/c1-3-5(9)4(2)8(12)7(11)6(3)10/h12H2,1-2H3 |
| InChIKey | IAOKARFBYJVLNJ-UHFFFAOYSA-N |
| Molecular Weight | 224.518 g/mol |
| SMILES | C1(=C(C(=C(C(=C1C)Cl)C)Cl)Cl)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.815432 |