| SpectraBase Compound ID | HuZ9CkTQC5h |
|---|---|
| InChI | InChI=1S/C13H16N2O6/c1-8(13(2,3)4)21-12(16)9-5-10(14(17)18)7-11(6-9)15(19)20/h5-8H,1-4H3 |
| InChIKey | HAXSCMWRBHTBLA-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 | 2NitrYz22BG |
|---|---|
| Name | 3,3-Dimethylbutan-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(13(2,3)4)21-12(16)9-5-10(14(17)18)7-11(6-9)15(19)20/h5-8H,1-4H3 |
| InChIKey | HAXSCMWRBHTBLA-UHFFFAOYSA-N |
| Molecular Weight | 296.279 g/mol |
| SMILES | C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OC(C(C)(C)C)C |