| SpectraBase Compound ID | 8rfeF7udyHt |
|---|---|
| InChI | InChI=1S/C7H10BrN3O2/c8-3-1-2-4-10-5-7(9-6-10)11(12)13/h5-6H,1-4H2 |
| InChIKey | KOGZSTVKCCNIIR-UHFFFAOYSA-N |
| Mol Weight | 248.08 g/mol |
| Molecular Formula | C7H10BrN3O2 |
| Exact Mass | 246.99564 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H0ph2q1P0nk |
|---|---|
| Name | 1-(4-Bromanylbutyl)-4-nitro-imidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.995639572 u |
| Formula | C7H10BrN3O2 |
| InChI | InChI=1S/C7H10BrN3O2/c8-3-1-2-4-10-5-7(9-6-10)11(12)13/h5-6H,1-4H2 |
| InChIKey | KOGZSTVKCCNIIR-UHFFFAOYSA-N |
| Molecular Weight | 248.080 g/mol |
| SMILES | C=1(N(=O)=O)N=CN(C1)CCCCBr |