| SpectraBase Compound ID | JkfH8A9tgqk |
|---|---|
| InChI | InChI=1S/C14H11BrN4O/c1-8(20)18-14-16-5-4-13(19-14)11-7-17-12-3-2-9(15)6-10(11)12/h2-7,17H,1H3,(H,16,18,19,20) |
| InChIKey | DPMUJKJSLZPKEO-UHFFFAOYSA-N |
| Mol Weight | 331.17 g/mol |
| Molecular Formula | C14H11BrN4O |
| Exact Mass | 330.011624 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 | 9JDQAPk36tO |
|---|---|
| Name | N-(4-(5-Bromo-1H-indol-3-yl)pyrimidin-2-yl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.011623989 u |
| Formula | C14H11BrN4O |
| InChI | InChI=1S/C14H11BrN4O/c1-8(20)18-14-16-5-4-13(19-14)11-7-17-12-3-2-9(15)6-10(11)12/h2-7,17H,1H3,(H,16,18,19,20) |
| InChIKey | DPMUJKJSLZPKEO-UHFFFAOYSA-N |
| Molecular Weight | 331.173 g/mol |
| SMILES | C1(Br)=CC2=C(NC=C2C2=NC(=NC=C2)NC(C)=O)C=C1 |