| SpectraBase Compound ID | KGrRUbTXsVM |
|---|---|
| InChI | InChI=1S/C13H16N2O6/c1-8(2)4-9(3)21-13(16)10-5-11(14(17)18)7-12(6-10)15(19)20/h5-9H,4H2,1-3H3 |
| InChIKey | FVIPWDDUSKMZEQ-UHFFFAOYSA-N |
| Mol Weight | 296.28 g/mol |
| Molecular Formula | C13H16N2O6 |
| Exact Mass | 296.100836 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3wbzdvUXT6J |
|---|---|
| Name | 4-Methylpentan-2-yl 3,5-dinitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.100836237 u |
| Formula | C13H16N2O6 |
| InChI | InChI=1S/C13H16N2O6/c1-8(2)4-9(3)21-13(16)10-5-11(14(17)18)7-12(6-10)15(19)20/h5-9H,4H2,1-3H3 |
| InChIKey | FVIPWDDUSKMZEQ-UHFFFAOYSA-N |
| Molecular Weight | 296.279 g/mol |
| SMILES | C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OC(C)CC(C)C |