| SpectraBase Compound ID | BZ4qKMdAed6 |
|---|---|
| InChI | InChI=1S/C14H18N4O7/c1-8(2)5-11(14(21)15-7-13(19)20)16-10-4-3-9(17(22)23)6-12(10)18(24)25/h3-4,6,8,11,16H,5,7H2,1-2H3,(H,15,21)(H,19,20)/t11-/m0/s1 |
| InChIKey | XHYNGGKXSGEVLP-NSHDSACASA-N |
| Mol Weight | 354.32 g/mol |
| Molecular Formula | C14H18N4O7 |
| Exact Mass | 354.117549 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7TvB1bkO2fZ |
|---|---|
| Name | 2,4-Dinitrophenyl-L-leucyl-glycine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.117548929 u |
| Formula | C14H18N4O7 |
| InChI | InChI=1S/C14H18N4O7/c1-8(2)5-11(14(21)15-7-13(19)20)16-10-4-3-9(17(22)23)6-12(10)18(24)25/h3-4,6,8,11,16H,5,7H2,1-2H3,(H,15,21)(H,19,20)/t11-/m0/s1 |
| InChIKey | XHYNGGKXSGEVLP-NSHDSACASA-N |
| Molecular Weight | 354.319 g/mol |
| SMILES | C1(=C(C=C(C=C1)N(=O)=O)N(=O)=O)N[C@](C(NCC(O)=O)=O)(CC(C)C)[H] |