| SpectraBase Compound ID | 7KCiv8vAc1m |
|---|---|
| InChI | InChI=1S/C7H6Cl2O/c8-4-5-1-2-7(10)6(9)3-5/h1-3,10H,4H2 |
| InChIKey | DWVFCLQJPIGCKN-UHFFFAOYSA-N |
| Mol Weight | 177.03 g/mol |
| Molecular Formula | C7H6Cl2O |
| Exact Mass | 175.97957 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7i5dX7VNKya |
|---|---|
| Name | 2-Chloro-4-(chloromethyl)phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.979570212 u |
| Formula | C7H6Cl2O |
| InChI | InChI=1S/C7H6Cl2O/c8-4-5-1-2-7(10)6(9)3-5/h1-3,10H,4H2 |
| InChIKey | DWVFCLQJPIGCKN-UHFFFAOYSA-N |
| Molecular Weight | 177.030 g/mol |
| SMILES | C(C=1C=C(C(=CC1)O)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953004 |