| SpectraBase Compound ID | GRs1qcR61GD |
|---|---|
| InChI | InChI=1S/C12H13BrN2O/c1-12(2,3)11-14-10(15-16-11)8-4-6-9(13)7-5-8/h4-7H,1-3H3 |
| InChIKey | QXVWMOMVFJMHJB-UHFFFAOYSA-N |
| Mol Weight | 281.15 g/mol |
| Molecular Formula | C12H13BrN2O |
| Exact Mass | 280.021126 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FTKWgyW6OY5 |
|---|---|
| Name | 3-(4-Bromophenyl)-5-tert-butyl-1,2,4-oxadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.021126046 u |
| Formula | C12H13BrN2O |
| InChI | InChI=1S/C12H13BrN2O/c1-12(2,3)11-14-10(15-16-11)8-4-6-9(13)7-5-8/h4-7H,1-3H3 |
| InChIKey | QXVWMOMVFJMHJB-UHFFFAOYSA-N |
| SMILES | C1(=NOC(=N1)C(C)(C)C)C1=CC=C(C=C1)Br |