| SpectraBase Compound ID | 78qAzAO04LH |
|---|---|
| InChI | InChI=1S/C3H5BrCl2O/c4-1-2(7)3(5)6/h2-3,7H,1H2 |
| InChIKey | HMURDCFUOTVAQK-UHFFFAOYSA-N |
| Mol Weight | 207.88 g/mol |
| Molecular Formula | C3H5BrCl2O |
| Exact Mass | 205.890083 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 33pAkd4qNx3 |
|---|---|
| Name | 2-Propanol, 3-bromo-1,1-dichloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.890083180 u |
| Formula | C3H5BrCl2O |
| InChI | InChI=1S/C3H5BrCl2O/c4-1-2(7)3(5)6/h2-3,7H,1H2 |
| InChIKey | HMURDCFUOTVAQK-UHFFFAOYSA-N |
| SMILES | C(C(Cl)Cl)(O)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923822 |