| SpectraBase Compound ID | wPEY3DKKnS |
|---|---|
| InChI | InChI=1S/C4H9BrO/c1-4(6)2-3-5/h4,6H,2-3H2,1H3 |
| InChIKey | KHZTWUIVCAAVDC-UHFFFAOYSA-N |
| Mol Weight | 153.02 g/mol |
| Molecular Formula | C4H9BrO |
| Exact Mass | 151.983678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FAmubwocbVg |
|---|---|
| Name | (R,S)-1-Bromobutane-3-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 151.983677909 u |
| Formula | C4H9BrO |
| InChI | InChI=1S/C4H9BrO/c1-4(6)2-3-5/h4,6H,2-3H2,1H3 |
| InChIKey | KHZTWUIVCAAVDC-UHFFFAOYSA-N |
| Molecular Weight | 153.019 g/mol |
| SMILES | C(O)(C)CCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904687 |