| SpectraBase Compound ID | 1eRxav3Xdkp |
|---|---|
| InChI | InChI=1S/C14H13BrN2O2/c1-19-13-4-2-10(3-5-13)7-17-14(18)11-6-12(15)9-16-8-11/h2-6,8-9H,7H2,1H3,(H,17,18) |
| InChIKey | GMGGOGVCZBNYOA-UHFFFAOYSA-N |
| Mol Weight | 321.17 g/mol |
| Molecular Formula | C14H13BrN2O2 |
| Exact Mass | 320.016041 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BYkn9EUaHdV |
|---|---|
| Name | Pyridine-3-carboxamide, 5-bromo-N-(4-methoxybenzyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.016040665 u |
| Formula | C14H13BrN2O2 |
| InChI | InChI=1S/C14H13BrN2O2/c1-19-13-4-2-10(3-5-13)7-17-14(18)11-6-12(15)9-16-8-11/h2-6,8-9H,7H2,1H3,(H,17,18) |
| InChIKey | GMGGOGVCZBNYOA-UHFFFAOYSA-N |
| Molecular Weight | 321.174 g/mol |
| SMILES | C1(C(NCC2=CC=C(OC)C=C2)=O)=CC(Br)=CN=C1 |