| SpectraBase Compound ID | 8vtkCj4mbv |
|---|---|
| InChI | InChI=1S/C5H11ClO2/c1-2-8-4-5(7)3-6/h5,7H,2-4H2,1H3 |
| InChIKey | XHIINWKFCZSGNY-UHFFFAOYSA-N |
| Mol Weight | 138.59 g/mol |
| Molecular Formula | C5H11ClO2 |
| Exact Mass | 138.044757 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4fdvT69f1Ej |
|---|---|
| Name | 1-Chloro-3-ethoxy-2-propanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.044757292 u |
| Formula | C5H11ClO2 |
| InChI | InChI=1S/C5H11ClO2/c1-2-8-4-5(7)3-6/h5,7H,2-4H2,1H3 |
| InChIKey | XHIINWKFCZSGNY-UHFFFAOYSA-N |
| SMILES | OC(COCC)CCl |
| Spectrum/Structure Validation Score (Raman) | 0.983489 |