| SpectraBase Compound ID | 8W27Kwr33ld |
|---|---|
| InChI | InChI=1S/C11H12N2O6/c1-11(2,3)10(14)19-9-5-4-7(12(15)16)6-8(9)13(17)18/h4-6H,1-3H3 |
| InChIKey | SEBUYNOQPFWJRJ-UHFFFAOYSA-N |
| Mol Weight | 268.22 g/mol |
| Molecular Formula | C11H12N2O6 |
| Exact Mass | 268.069536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1WpZbBxN8y4 |
|---|---|
| Name | Propanoic acid, 2,2-dimethyl-, 2,4-dinitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.069536108 u |
| Formula | C11H12N2O6 |
| InChI | InChI=1S/C11H12N2O6/c1-11(2,3)10(14)19-9-5-4-7(12(15)16)6-8(9)13(17)18/h4-6H,1-3H3 |
| InChIKey | SEBUYNOQPFWJRJ-UHFFFAOYSA-N |
| Molecular Weight | 268.225 g/mol |
| SMILES | C1(N(=O)=O)=CC(N(=O)=O)=CC=C1OC(C(C)(C)C)=O |