![[R]-(p-Bromophenyl)-1,2-ethanediol](/api/spectrum/DFb8gdVUMNw/structure.png?h=300&w=458 "[R]-(p-Bromophenyl)-1,2-ethanediol")
| SpectraBase Compound ID | Hmf2aCkoWIv |
|---|---|
| InChI | InChI=1S/C8H9BrO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,10-11H,5H2/t8-/m0/s1 |
| InChIKey | ZDPJGAWPRHNQHI-QMMMGPOBSA-N |
| Mol Weight | 217.06 g/mol |
| Molecular Formula | C8H9BrO2 |
| Exact Mass | 215.978593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DFb8gdVUMNw |
|---|---|
| Name | [R]-(p-Bromophenyl)-1,2-ethanediol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.978592528 u |
| Formula | C8H9BrO2 |
| InChI | InChI=1S/C8H9BrO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8,10-11H,5H2/t8-/m0/s1 |
| InChIKey | ZDPJGAWPRHNQHI-QMMMGPOBSA-N |
| Molecular Weight | 217.062 g/mol |
| SMILES | C1(=CC=C(C=C1)Br)[C@@](O)(CO)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936005 |