| SpectraBase Compound ID | 1M3D7w8fZy9 |
|---|---|
| InChI | InChI=1S/C8H8Cl2O/c1-11-5-6-2-7(9)4-8(10)3-6/h2-4H,5H2,1H3 |
| InChIKey | MXLDNAPUCNFGQE-UHFFFAOYSA-N |
| Mol Weight | 191.06 g/mol |
| Molecular Formula | C8H8Cl2O |
| Exact Mass | 189.99522 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KLZEZiFeR7O |
|---|---|
| Name | 3,5-Dichlorobenzyl alcohol, methyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.995220277 u |
| Formula | C8H8Cl2O |
| InChI | InChI=1S/C8H8Cl2O/c1-11-5-6-2-7(9)4-8(10)3-6/h2-4H,5H2,1H3 |
| InChIKey | MXLDNAPUCNFGQE-UHFFFAOYSA-N |
| SMILES | C1(=CC(=CC(=C1)Cl)Cl)COC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.851407 |