| SpectraBase Compound ID | ENLJOeZ4n6C |
|---|---|
| InChI | InChI=1S/C8H13BrN2/c1-7(2)3-4-11-6-8(9)5-10-11/h5-7H,3-4H2,1-2H3 |
| InChIKey | PSQJFVJRFQJOBI-UHFFFAOYSA-N |
| Mol Weight | 217.11 g/mol |
| Molecular Formula | C8H13BrN2 |
| Exact Mass | 216.026211 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ulKfgmMdME |
|---|---|
| Name | 4-Bromo-1-isopentylpyrazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.026211427 u |
| Formula | C8H13BrN2 |
| InChI | InChI=1S/C8H13BrN2/c1-7(2)3-4-11-6-8(9)5-10-11/h5-7H,3-4H2,1-2H3 |
| InChIKey | PSQJFVJRFQJOBI-UHFFFAOYSA-N |
| Molecular Weight | 217.110 g/mol |
| SMILES | C1(Br)=CN(N=C1)CCC(C)C |