| SpectraBase Compound ID | 7aujLWkGIz0 |
|---|---|
| InChI | InChI=1S/C17H13BrN2O/c18-15-10-19-17(20-11-15)14-6-8-16(9-7-14)21-12-13-4-2-1-3-5-13/h1-11H,12H2 |
| InChIKey | JBNYEPSNTIGHEL-UHFFFAOYSA-N |
| Mol Weight | 341.21 g/mol |
| Molecular Formula | C17H13BrN2O |
| Exact Mass | 340.021126 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LSpbNJaBbpc |
|---|---|
| Name | Pyrimidine, 5-bromo-2-(4-benzyloxyphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.021126046 u |
| Formula | C17H13BrN2O |
| InChI | InChI=1S/C17H13BrN2O/c18-15-10-19-17(20-11-15)14-6-8-16(9-7-14)21-12-13-4-2-1-3-5-13/h1-11H,12H2 |
| InChIKey | JBNYEPSNTIGHEL-UHFFFAOYSA-N |
| Molecular Weight | 341.208 g/mol |
| SMILES | C1(=NC=C(C=N1)Br)C1=CC=C(C=C1)OCC1=CC=CC=C1 |