| SpectraBase Compound ID | 1S9FNwI0fNS |
|---|---|
| InChI | InChI=1S/C11H11N3O8/c15-10(16)4-3-8(11(17)18)12-7-2-1-6(13(19)20)5-9(7)14(21)22/h1-2,5,8,12H,3-4H2,(H,15,16)(H,17,18) |
| InChIKey | NZBKHTRVUNPZEN-UHFFFAOYSA-N |
| Mol Weight | 313.22 g/mol |
| Molecular Formula | C11H11N3O8 |
| Exact Mass | 313.054614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9qkJ5TGfPkP |
|---|---|
| Name | N-2,4-Dinitrophenyl-dl-glutamic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.054614318 u |
| Formula | C11H11N3O8 |
| InChI | InChI=1S/C11H11N3O8/c15-10(16)4-3-8(11(17)18)12-7-2-1-6(13(19)20)5-9(7)14(21)22/h1-2,5,8,12H,3-4H2,(H,15,16)(H,17,18) |
| InChIKey | NZBKHTRVUNPZEN-UHFFFAOYSA-N |
| Molecular Weight | 313.222 g/mol |
| SMILES | C1=CC(=CC(=C1NC(C(=O)O)CCC(O)=O)N(=O)=O)N(=O)=O |