| SpectraBase Compound ID | NxSjCWigAt |
|---|---|
| InChI | InChI=1S/C6H7BrN2O/c1-3-5(7)6(10)9-4(2)8-3/h1-2H3,(H,8,9,10) |
| InChIKey | ZXYNLEUXPBAEIL-UHFFFAOYSA-N |
| Mol Weight | 203.04 g/mol |
| Molecular Formula | C6H7BrN2O |
| Exact Mass | 201.974176 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FNIjzghenyo |
|---|---|
| Name | 5-Bromanyl-2,6-dimethyl-1H-pyrimidin-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.974175852 u |
| Formula | C6H7BrN2O |
| InChI | InChI=1S/C6H7BrN2O/c1-3-5(7)6(10)9-4(2)8-3/h1-2H3,(H,8,9,10) |
| InChIKey | ZXYNLEUXPBAEIL-UHFFFAOYSA-N |
| Molecular Weight | 203.039 g/mol |
| SMILES | C=1(C(N=C(NC1C)C)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.853511 |