![exo-8-Bromo-2-oxatricyclo[3.3.0.0(4,6)]octan-3-one](/api/spectrum/8Z5LQVWLPAH/structure.png?h=300&w=458 "exo-8-Bromo-2-oxatricyclo[3.3.0.0(4,6)]octan-3-one")
| SpectraBase Compound ID | Ge6rA8wtmTa |
|---|---|
| InChI | InChI=1S/C7H7BrO2/c8-3-1-2-4-5(2)7(9)10-6(3)4/h2-6H,1H2 |
| InChIKey | OMCQWJYLJREGGQ-UHFFFAOYSA-N |
| Mol Weight | 203.03 g/mol |
| Molecular Formula | C7H7BrO2 |
| Exact Mass | 201.962942 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8Z5LQVWLPAH |
|---|---|
| Name | exo-8-Bromo-2-oxatricyclo[3.3.0.0(4,6)]octan-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.962942463 u |
| Formula | C7H7BrO2 |
| InChI | InChI=1S/C7H7BrO2/c8-3-1-2-4-5(2)7(9)10-6(3)4/h2-6H,1H2 |
| InChIKey | OMCQWJYLJREGGQ-UHFFFAOYSA-N |
| Molecular Weight | 203.035 g/mol |
| SMILES | C12C3C(OC2=O)C(CC13)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.843873 |