| SpectraBase Compound ID | 74U7m85FVOE |
|---|---|
| InChI | InChI=1S/C5H9BrO/c6-4-2-1-3-5(4)7/h4-5,7H,1-3H2/t4-,5-/m0/s1 |
| InChIKey | BQVWZYQFAVLQKE-WHFBIAKZSA-N |
| Mol Weight | 165.03 g/mol |
| Molecular Formula | C5H9BrO |
| Exact Mass | 163.983678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D6jVG29eKh |
|---|---|
| Name | (1S,2S)-2-Bromanylcyclopentan-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.983677909 u |
| Formula | C5H9BrO |
| InChI | InChI=1S/C5H9BrO/c6-4-2-1-3-5(4)7/h4-5,7H,1-3H2/t4-,5-/m0/s1 |
| InChIKey | BQVWZYQFAVLQKE-WHFBIAKZSA-N |
| Molecular Weight | 165.030 g/mol |
| SMILES | [C@@]1([C@@](O)(CCC1)[H])(Br)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.822204 |