![Tricyclo[3.2.1.0(2,7)]octan-3-one,1-bromo-](/api/spectrum/JZPFRc0yqAh/structure.png?h=300&w=458 "Tricyclo[3.2.1.0(2,7)]octan-3-one,1-bromo-")
| SpectraBase Compound ID | GRKD9tytba7 |
|---|---|
| InChI | InChI=1S/C8H9BrO/c9-8-3-4-1-5(8)7(8)6(10)2-4/h4-5,7H,1-3H2 |
| InChIKey | NKIHLCARNTYQGA-UHFFFAOYSA-N |
| Mol Weight | 201.06 g/mol |
| Molecular Formula | C8H9BrO |
| Exact Mass | 199.983678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JZPFRc0yqAh |
|---|---|
| Name | Tricyclo[3.2.1.0(2,7)]octan-3-one,1-bromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.983677909 u |
| Formula | C8H9BrO |
| InChI | InChI=1S/C8H9BrO/c9-8-3-4-1-5(8)7(8)6(10)2-4/h4-5,7H,1-3H2 |
| InChIKey | NKIHLCARNTYQGA-UHFFFAOYSA-N |
| Molecular Weight | 201.063 g/mol |
| SMILES | C12(C3C(=O)CC(C2)CC13)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.871161 |