| SpectraBase Compound ID | 4orr7BXHSvw |
|---|---|
| InChI | InChI=1S/C9H16BrF/c1-8(2)5-9(3,4)7(11)6(8)10/h6-7H,5H2,1-4H3 |
| InChIKey | TWHZQMAFWKFFQM-UHFFFAOYSA-N |
| Mol Weight | 223.13 g/mol |
| Molecular Formula | C9H16BrF |
| Exact Mass | 222.041942 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G61EZMqcaaN |
|---|---|
| Name | 1-Bromo-2-fluoro-3,3,5,5-tetramethylcyclopentane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.041941678 u |
| Formula | C9H16BrF |
| InChI | InChI=1S/C9H16BrF/c1-8(2)5-9(3,4)7(11)6(8)10/h6-7H,5H2,1-4H3 |
| InChIKey | TWHZQMAFWKFFQM-UHFFFAOYSA-N |
| Molecular Weight | 223.129 g/mol |
| SMILES | C1(C(C(CC1(C)C)(C)C)F)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.826089 |