| SpectraBase Compound ID | GBqWSM9tfSX |
|---|---|
| InChI | InChI=1S/C9H13BrO/c10-8-5-6-1-3-7(4-2-6)9(8)11/h6-8H,1-5H2 |
| InChIKey | YGCVHYLQEZKUAZ-UHFFFAOYSA-N |
| Mol Weight | 217.11 g/mol |
| Molecular Formula | C9H13BrO |
| Exact Mass | 216.014978 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GMVsoHajUNu |
|---|---|
| Name | 3-Bromobicyclo(3.2.2)nonan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.014978038 u |
| Formula | C9H13BrO |
| InChI | InChI=1S/C9H13BrO/c10-8-5-6-1-3-7(4-2-6)9(8)11/h6-8H,1-5H2 |
| InChIKey | YGCVHYLQEZKUAZ-UHFFFAOYSA-N |
| Molecular Weight | 217.106 g/mol |
| SMILES | C1CC2CCC1CC(C2=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903246 |