| SpectraBase Compound ID | 1nGGdrWZEFq |
|---|---|
| InChI | InChI=1S/C12H12BrNO/c13-11-6-2-1-5-10(11)12(15)9-4-3-7-14-8-9/h3-4,7-8H,1-2,5-6H2 |
| InChIKey | YZLKKMQAGPUTCN-UHFFFAOYSA-N |
| Mol Weight | 266.14 g/mol |
| Molecular Formula | C12H12BrNO |
| Exact Mass | 265.010227 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BVlyEYIYb8O |
|---|---|
| Name | (2-Bromocyclohex-1-enyl)(pyridin-3-yl)methanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.010227009 u |
| Formula | C12H12BrNO |
| InChI | InChI=1S/C12H12BrNO/c13-11-6-2-1-5-10(11)12(15)9-4-3-7-14-8-9/h3-4,7-8H,1-2,5-6H2 |
| InChIKey | YZLKKMQAGPUTCN-UHFFFAOYSA-N |
| SMILES | C1=NC=C(C(C=2CCCCC2Br)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916158 |