| SpectraBase Compound ID | 5Un4ZOag0up |
|---|---|
| InChI | InChI=1S/C12H12BrN3O/c1-17-11-4-2-9(3-5-11)6-14-12-15-7-10(13)8-16-12/h2-5,7-8H,6H2,1H3,(H,14,15,16) |
| InChIKey | PYJFALQWZLZRBT-UHFFFAOYSA-N |
| Mol Weight | 294.15 g/mol |
| Molecular Formula | C12H12BrN3O |
| Exact Mass | 293.016375 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Jfzj0xXtaGY |
|---|---|
| Name | 5-Bromo-2-(4-methoxybenzylamino)pyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.016375017 u |
| Formula | C12H12BrN3O |
| InChI | InChI=1S/C12H12BrN3O/c1-17-11-4-2-9(3-5-11)6-14-12-15-7-10(13)8-16-12/h2-5,7-8H,6H2,1H3,(H,14,15,16) |
| InChIKey | PYJFALQWZLZRBT-UHFFFAOYSA-N |
| Molecular Weight | 294.152 g/mol |
| SMILES | C1(Br)=CN=C(N=C1)NCC1=CC=C(C=C1)OC |