| SpectraBase Compound ID | E82NOxUCgr2 |
|---|---|
| InChI | InChI=1S/C12H8Cl2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H |
| InChIKey | URUJZHZLCCIILC-UHFFFAOYSA-N |
| Mol Weight | 239.1 g/mol |
| Molecular Formula | C12H8Cl2O |
| Exact Mass | 237.99522 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HLM2z3XVPMD |
|---|---|
| Name | 4,4'-Dichlor-diphenylether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.995220277 u |
| Formula | C12H8Cl2O |
| InChI | InChI=1S/C12H8Cl2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H |
| InChIKey | URUJZHZLCCIILC-UHFFFAOYSA-N |
| Molecular Weight | 239.101 g/mol |
| SMILES | C=1(Cl)C=CC(=CC1)OC1=CC=C(Cl)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919597 |