| SpectraBase Compound ID | 6sWtvP1aiIe |
|---|---|
| InChI | InChI=1S/C6H12Cl2O/c1-6(2,5-8)9-4-3-7/h3-5H2,1-2H3 |
| InChIKey | WWLWXPXUHIZTCN-UHFFFAOYSA-N |
| Mol Weight | 171.07 g/mol |
| Molecular Formula | C6H12Cl2O |
| Exact Mass | 170.02652 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CyjTK1tLExc |
|---|---|
| Name | 1-Chloranyl-2-(2-chloroethyloxy)-2-methyl-propane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.026520405 u |
| Formula | C6H12Cl2O |
| InChI | InChI=1S/C6H12Cl2O/c1-6(2,5-8)9-4-3-7/h3-5H2,1-2H3 |
| InChIKey | WWLWXPXUHIZTCN-UHFFFAOYSA-N |
| Molecular Weight | 171.067 g/mol |
| SMILES | C(OCCCl)(CCl)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972213 |