| SpectraBase Compound ID | HHEfLfQOtSp |
|---|---|
| InChI | InChI=1S/C12H11BrN2O/c1-8(13)10-7-11(16)15-12(14-10)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15,16) |
| InChIKey | BLOVXJUOSUUOAB-UHFFFAOYSA-N |
| Mol Weight | 279.14 g/mol |
| Molecular Formula | C12H11BrN2O |
| Exact Mass | 278.005476 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KdxFBp9G7dk |
|---|---|
| Name | 6-(1-Bromoethyl)-2-phenylpyrimidin-4(3H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.005475981 u |
| Formula | C12H11BrN2O |
| InChI | InChI=1S/C12H11BrN2O/c1-8(13)10-7-11(16)15-12(14-10)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15,16) |
| InChIKey | BLOVXJUOSUUOAB-UHFFFAOYSA-N |
| SMILES | C1(=NC(=CC(N1)=O)C(Br)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.871326 |