| SpectraBase Compound ID | CNe2d7dGjDV |
|---|---|
| InChI | InChI=1S/C8H8Cl2O/c9-7-3-1-6(2-4-7)8(10)5-11/h1-4,8,11H,5H2 |
| InChIKey | MJAKZPPVNDXPPI-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 | 5362YZl8RUA |
|---|---|
| Name | 2-Chloranyl-2-(4-chlorophenyl)ethanol |
| 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/c9-7-3-1-6(2-4-7)8(10)5-11/h1-4,8,11H,5H2 |
| InChIKey | MJAKZPPVNDXPPI-UHFFFAOYSA-N |
| SMILES | C=1(C=CC(=CC1)Cl)C(Cl)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.86596 |