| SpectraBase Compound ID | 56cbclzlJIj |
|---|---|
| InChI | InChI=1S/C9H14Cl2O2/c1-2-3-4-5-9(12)13-7-6-8(10)11/h6H,2-5,7H2,1H3 |
| InChIKey | AKDGXLJXRYKOJK-UHFFFAOYSA-N |
| Mol Weight | 225.11 g/mol |
| Molecular Formula | C9H14Cl2O2 |
| Exact Mass | 224.037085 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DhL5ULLe8Y2 |
|---|---|
| Name | 3,3-Dichloro-2-propen-ol, hexanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.037085089 u |
| Formula | C9H14Cl2O2 |
| InChI | InChI=1S/C9H14Cl2O2/c1-2-3-4-5-9(12)13-7-6-8(10)11/h6H,2-5,7H2,1H3 |
| InChIKey | AKDGXLJXRYKOJK-UHFFFAOYSA-N |
| Molecular Weight | 225.115 g/mol |
| SMILES | C(=C(Cl)Cl)COC(CCCCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.921312 |