| SpectraBase Compound ID | 9DAtWDS71bf |
|---|---|
| InChI | InChI=1S/C7H12Br2O/c8-3-5-1-7(10)2-6(5)4-9/h5-7,10H,1-4H2 |
| InChIKey | CFDPEDNNIBNSMI-UHFFFAOYSA-N |
| Mol Weight | 271.98 g/mol |
| Molecular Formula | C7H12Br2O |
| Exact Mass | 269.925491 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FD6ObTGdfAK |
|---|---|
| Name | 3,4-bis(Bromomethyl)cyclopentan-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.925491005 u |
| Formula | C7H12Br2O |
| InChI | InChI=1S/C7H12Br2O/c8-3-5-1-7(10)2-6(5)4-9/h5-7,10H,1-4H2 |
| InChIKey | CFDPEDNNIBNSMI-UHFFFAOYSA-N |
| SMILES | C1(C(CC(C1)O)CBr)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.842398 |