| SpectraBase Compound ID | H7rjjAPD1N6 |
|---|---|
| InChI | InChI=1S/C10H11N3O6/c1-2-3-4-8-9(12(16)17)5-7(11(14)15)6-10(8)13(18)19/h5-6H,2-4H2,1H3 |
| InChIKey | BYGCHPHKGMXLPU-UHFFFAOYSA-N |
| Mol Weight | 269.21 g/mol |
| Molecular Formula | C10H11N3O6 |
| Exact Mass | 269.064785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EiE1WdFqSMr |
|---|---|
| Name | 2-Butyl-1,3,5-trinitrobenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.064785080 u |
| Formula | C10H11N3O6 |
| InChI | InChI=1S/C10H11N3O6/c1-2-3-4-8-9(12(16)17)5-7(11(14)15)6-10(8)13(18)19/h5-6H,2-4H2,1H3 |
| InChIKey | BYGCHPHKGMXLPU-UHFFFAOYSA-N |
| SMILES | C=1(C(=C(C=C(C1)N(=O)=O)N(=O)=O)CCCC)N(=O)=O |