| SpectraBase Compound ID | 1ntQmGU5IJe |
|---|---|
| InChI | InChI=1S/C5H8BrFO/c1-3(6)5(7)4-2-8-4/h3-5H,2H2,1H3 |
| InChIKey | PIPATBDJTQRQQV-UHFFFAOYSA-N |
| Mol Weight | 183.02 g/mol |
| Molecular Formula | C5H8BrFO |
| Exact Mass | 181.974256 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E8N35TSWq71 |
|---|---|
| Name | 2-(2-Bromanyl-1-fluoranyl-propyl)oxirane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.974256040 u |
| Formula | C5H8BrFO |
| InChI | InChI=1S/C5H8BrFO/c1-3(6)5(7)4-2-8-4/h3-5H,2H2,1H3 |
| InChIKey | PIPATBDJTQRQQV-UHFFFAOYSA-N |
| Molecular Weight | 183.020 g/mol |
| SMILES | C1(OC1)C(C(Br)C)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.858901 |