| SpectraBase Compound ID | 1zH9qSXLLSU |
|---|---|
| InChI | InChI=1S/C10H13N3O4/c1-3-7(2)11-9-5-4-8(12(14)15)6-10(9)13(16)17/h4-7,11H,3H2,1-2H3 |
| InChIKey | GMXQFXLQBAAKFN-UHFFFAOYSA-N |
| Mol Weight | 239.23 g/mol |
| Molecular Formula | C10H13N3O4 |
| Exact Mass | 239.090606 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BPBuT7H40E1 |
|---|---|
| Name | N-sec-Butyl-2,4-dinitrobenzenamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.090605907 u |
| Formula | C10H13N3O4 |
| InChI | InChI=1S/C10H13N3O4/c1-3-7(2)11-9-5-4-8(12(14)15)6-10(9)13(16)17/h4-7,11H,3H2,1-2H3 |
| InChIKey | GMXQFXLQBAAKFN-UHFFFAOYSA-N |
| Molecular Weight | 239.231 g/mol |
| SMILES | C1(=C(C=C(C=C1)N(=O)=O)N(=O)=O)NC(CC)C |