| SpectraBase Compound ID | K6ENiHGTYzp |
|---|---|
| InChI | InChI=1S/C5H11ClO/c1-2-7-5-3-4-6/h2-5H2,1H3 |
| InChIKey | AQVWVFMAJAIJFG-UHFFFAOYSA-N |
| Mol Weight | 122.59 g/mol |
| Molecular Formula | C5H11ClO |
| Exact Mass | 122.049843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CJQ3d5CT6gs |
|---|---|
| Name | Propane, 1-chloro-3-ethoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 122.049842673 u |
| Formula | C5H11ClO |
| InChI | InChI=1S/C5H11ClO/c1-2-7-5-3-4-6/h2-5H2,1H3 |
| InChIKey | AQVWVFMAJAIJFG-UHFFFAOYSA-N |
| Molecular Weight | 122.595 g/mol |
| SMILES | CCOCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974237 |