![2-Aminovaleric acid, N-[2,4-dinitrophenyl]-](/api/spectrum/6PT5lwyrlmZ/structure.png?h=300&w=458 "2-Aminovaleric acid, N-[2,4-dinitrophenyl]-")
| SpectraBase Compound ID | 3NtdGrluClm |
|---|---|
| InChI | InChI=1S/C11H13N3O6/c1-2-3-9(11(15)16)12-8-5-4-7(13(17)18)6-10(8)14(19)20/h4-6,9,12H,2-3H2,1H3,(H,15,16) |
| InChIKey | WSJNAXWRYWZIBW-UHFFFAOYSA-N |
| Mol Weight | 283.24 g/mol |
| Molecular Formula | C11H13N3O6 |
| Exact Mass | 283.080435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6PT5lwyrlmZ |
|---|---|
| Name | 2-Aminovaleric acid, N-[2,4-dinitrophenyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.080435145 u |
| Formula | C11H13N3O6 |
| InChI | InChI=1S/C11H13N3O6/c1-2-3-9(11(15)16)12-8-5-4-7(13(17)18)6-10(8)14(19)20/h4-6,9,12H,2-3H2,1H3,(H,15,16) |
| InChIKey | WSJNAXWRYWZIBW-UHFFFAOYSA-N |
| SMILES | CCCC(C(O)=O)NC1=C(C=C(C=C1)N(=O)=O)N(=O)=O |