| SpectraBase Compound ID | Ba6CFd75ROj |
|---|---|
| InChI | InChI=1S/C8H15BrO/c1-2-5-8(10)6-3-4-7-9/h2-7H2,1H3 |
| InChIKey | OWOVCXKLSVGMAM-UHFFFAOYSA-N |
| Mol Weight | 207.11 g/mol |
| Molecular Formula | C8H15BrO |
| Exact Mass | 206.030628 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | rsoQyvlJ56 |
|---|---|
| Name | 8-Bromooctane-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.030628102 u |
| Formula | C8H15BrO |
| InChI | InChI=1S/C8H15BrO/c1-2-5-8(10)6-3-4-7-9/h2-7H2,1H3 |
| InChIKey | OWOVCXKLSVGMAM-UHFFFAOYSA-N |
| Molecular Weight | 207.111 g/mol |
| SMILES | CCCC(CCCCBr)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964479 |