![4-Bromanyl-6-oxabicyclo[3.2.1]octan-7-one](/api/spectrum/F0AMYHdrFXH/structure.png?h=300&w=458 "4-Bromanyl-6-oxabicyclo[3.2.1]octan-7-one")
| SpectraBase Compound ID | HimAilNnDFj |
|---|---|
| InChI | InChI=1S/C7H9BrO2/c8-5-2-1-4-3-6(5)10-7(4)9/h4-6H,1-3H2 |
| InChIKey | HIEDNXSBEYNHJB-UHFFFAOYSA-N |
| Mol Weight | 205.05 g/mol |
| Molecular Formula | C7H9BrO2 |
| Exact Mass | 203.978593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F0AMYHdrFXH |
|---|---|
| Name | 4-Bromanyl-6-oxabicyclo[3.2.1]octan-7-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.978592528 u |
| Formula | C7H9BrO2 |
| InChI | InChI=1S/C7H9BrO2/c8-5-2-1-4-3-6(5)10-7(4)9/h4-6H,1-3H2 |
| InChIKey | HIEDNXSBEYNHJB-UHFFFAOYSA-N |
| Molecular Weight | 205.051 g/mol |
| SMILES | C12CCC(C(OC2=O)C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972427 |