| SpectraBase Compound ID | 7Mu4seLGYDE |
|---|---|
| InChI | InChI=1S/C5H11BrO/c1-3-5(6)4(2)7/h4-5,7H,3H2,1-2H3 |
| InChIKey | LJQLFVKPMJYBIF-UHFFFAOYSA-N |
| Mol Weight | 167.05 g/mol |
| Molecular Formula | C5H11BrO |
| Exact Mass | 165.999328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GPZruHpiu94 |
|---|---|
| Name | Erythro-3-bromo-2-pentanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.999327973 u |
| Formula | C5H11BrO |
| InChI | InChI=1S/C5H11BrO/c1-3-5(6)4(2)7/h4-5,7H,3H2,1-2H3 |
| InChIKey | LJQLFVKPMJYBIF-UHFFFAOYSA-N |
| Molecular Weight | 167.046 g/mol |
| SMILES | CCC(Br)C(C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934768 |