| SpectraBase Compound ID | IoxVE7LKXDM |
|---|---|
| InChI | InChI=1S/C12H23BrO/c1-2-3-4-6-9-12(14)10-7-5-8-11-13/h2-11H2,1H3 |
| InChIKey | ADHUJVCRZHSWSZ-UHFFFAOYSA-N |
| Mol Weight | 263.22 g/mol |
| Molecular Formula | C12H23BrO |
| Exact Mass | 262.093228 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K1rq5PRzHhq |
|---|---|
| Name | 1-Bromododecan-6-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.093228360 u |
| Formula | C12H23BrO |
| InChI | InChI=1S/C12H23BrO/c1-2-3-4-6-9-12(14)10-7-5-8-11-13/h2-11H2,1H3 |
| InChIKey | ADHUJVCRZHSWSZ-UHFFFAOYSA-N |
| Molecular Weight | 263.219 g/mol |
| SMILES | C(CCCCC(CCCCCC)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95907 |