| SpectraBase Compound ID | 81q3doBCdhF |
|---|---|
| InChI | InChI=1S/C9H17BrO/c1-2-9(11)7-5-3-4-6-8-10/h2-8H2,1H3 |
| InChIKey | NZVHYAWVHGIXOF-UHFFFAOYSA-N |
| Mol Weight | 221.14 g/mol |
| Molecular Formula | C9H17BrO |
| Exact Mass | 220.046278 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 73t4w7OS3PQ |
|---|---|
| Name | 9-Bromononan-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.046278166 u |
| Formula | C9H17BrO |
| InChI | InChI=1S/C9H17BrO/c1-2-9(11)7-5-3-4-6-8-10/h2-8H2,1H3 |
| InChIKey | NZVHYAWVHGIXOF-UHFFFAOYSA-N |
| Molecular Weight | 221.138 g/mol |
| SMILES | CCC(CCCCCCBr)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975882 |