| SpectraBase Compound ID | 3gR3cFQXUXM |
|---|---|
| InChI | InChI=1S/C6H10BrF/c1-5(7)3-6(2,8)4-5/h3-4H2,1-2H3/t5-,6- |
| InChIKey | RNSWGLVHKLSYOE-IZLXSQMJSA-N |
| Mol Weight | 181.05 g/mol |
| Molecular Formula | C6H10BrF |
| Exact Mass | 179.994991 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LwNT4RqeOz0 |
|---|---|
| Name | Cyclobutane, 1-bromo-3-fluoro-1,3-dimethyl-, trans- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.994991485 u |
| Formula | C6H10BrF |
| InChI | InChI=1S/C6H10BrF/c1-5(7)3-6(2,8)4-5/h3-4H2,1-2H3/t5-,6- |
| InChIKey | RNSWGLVHKLSYOE-IZLXSQMJSA-N |
| Molecular Weight | 181.048 g/mol |
| SMILES | [C@]1(C[C@@](C1)(F)C)(Br)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.882729 |