| SpectraBase Compound ID | 1bb6HoJzHrZ |
|---|---|
| InChI | InChI=1S/C5H10Cl2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2 |
| InChIKey | YFESJHPTNWYOCO-UHFFFAOYSA-N |
| Mol Weight | 173.04 g/mol |
| Molecular Formula | C5H10Cl2O2 |
| Exact Mass | 172.005785 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AWNqVbmKh5p |
|---|---|
| Name | 2,2-bis(Chloromethyl)-1,3-propanediol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.005784960 u |
| Formula | C5H10Cl2O2 |
| InChI | InChI=1S/C5H10Cl2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2 |
| InChIKey | YFESJHPTNWYOCO-UHFFFAOYSA-N |
| SMILES | OCC(CO)(CCl)CCl |
| Spectrum/Structure Validation Score (Raman) | 0.937208 |