| SpectraBase Compound ID | oOcidgd36I |
|---|---|
| InChI | InChI=1S/C6H5Cl2NO/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H,9H2 |
| InChIKey | PEJIOEOCSJLAHT-UHFFFAOYSA-N |
| Mol Weight | 178.02 g/mol |
| Molecular Formula | C6H5Cl2NO |
| Exact Mass | 176.974819 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LgkP0W9UE4L |
|---|---|
| Name | Phenol, 4-amino-3,5-dichloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.974819184 u |
| Formula | C6H5Cl2NO |
| InChI | InChI=1S/C6H5Cl2NO/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H,9H2 |
| InChIKey | PEJIOEOCSJLAHT-UHFFFAOYSA-N |
| SMILES | C1(N)=C(Cl)C=C(C=C1Cl)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978276 |