| SpectraBase Compound ID | LVxJtOzpyXN |
|---|---|
| InChI | InChI=1S/C12H14N4O7/c1-2-23-12(18)7-14-11(17)6-13-9-4-3-8(15(19)20)5-10(9)16(21)22/h3-5,13H,2,6-7H2,1H3,(H,14,17) |
| InChIKey | LLOXSDBKKZOARW-UHFFFAOYSA-N |
| Mol Weight | 326.27 g/mol |
| Molecular Formula | C12H14N4O7 |
| Exact Mass | 326.086249 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ja1PcNbyptn |
|---|---|
| Name | Ethyl-N-(2,4-dinitrophenyl)-glycylglycine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.086248800 u |
| Formula | C12H14N4O7 |
| InChI | InChI=1S/C12H14N4O7/c1-2-23-12(18)7-14-11(17)6-13-9-4-3-8(15(19)20)5-10(9)16(21)22/h3-5,13H,2,6-7H2,1H3,(H,14,17) |
| InChIKey | LLOXSDBKKZOARW-UHFFFAOYSA-N |
| Molecular Weight | 326.265 g/mol |
| SMILES | C=1(N(=O)=O)C=C(N(=O)=O)C=CC1NCC(NCC(=O)OCC)=O |