| SpectraBase Spectrum ID |
6jwmP5A3wQV |
| Name |
N-(2,4-Dinitrophenyl)-dl-threonine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
285.059699699 u |
| Formula |
C10H11N3O7 |
| InChI |
InChI=1S/C10H11N3O7/c1-5(14)9(10(15)16)11-7-3-2-6(12(17)18)4-8(7)13(19)20/h2-5,9,11,14H,1H3,(H,15,16) |
| InChIKey |
PWOCOTZWYFGDMO-UHFFFAOYSA-N |
| Molecular Weight |
285.212 g/mol |
| SMILES |
N(C=1C(=CC(=CC1)N(=O)=O)N(=O)=O)C(C(O)=O)C(O)C |
| Spectrum/Structure Validation Score (Raman) |
0.965925 |
