| SpectraBase Compound ID | 38k5WDdLQQf |
|---|---|
| InChI | InChI=1S/C9H10Cl2O/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6H,1-2H3 |
| InChIKey | LLPFQJLKFDPDKS-UHFFFAOYSA-N |
| Mol Weight | 205.08 g/mol |
| Molecular Formula | C9H10Cl2O |
| Exact Mass | 204.01087 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JY8uBcwd3hj |
|---|---|
| Name | 2,5-Dichlorophenol, isopropyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.010870341 u |
| Formula | C9H10Cl2O |
| InChI | InChI=1S/C9H10Cl2O/c1-6(2)12-9-5-7(10)3-4-8(9)11/h3-6H,1-2H3 |
| InChIKey | LLPFQJLKFDPDKS-UHFFFAOYSA-N |
| Molecular Weight | 205.084 g/mol |
| SMILES | C1(=CC=C(C=C1OC(C)C)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92973 |