| SpectraBase Compound ID | 9HbksXSLZsR |
|---|---|
| InChI | InChI=1S/C9H9N3O7/c10-5(9(14)15)1-4-2-6(11(16)17)8(13)7(3-4)12(18)19/h2-3,5,13H,1,10H2,(H,14,15) |
| InChIKey | SAZOSDSFLRXREA-UHFFFAOYSA-N |
| Mol Weight | 271.19 g/mol |
| Molecular Formula | C9H9N3O7 |
| Exact Mass | 271.04405 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LoNJXbBwF1Z |
|---|---|
| Name | L-3,5-Dinitrotyrosine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.044049635 u |
| Formula | C9H9N3O7 |
| InChI | InChI=1S/C9H9N3O7/c10-5(9(14)15)1-4-2-6(11(16)17)8(13)7(3-4)12(18)19/h2-3,5,13H,1,10H2,(H,14,15) |
| InChIKey | SAZOSDSFLRXREA-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C1=C(C(=CC(CC(C(O)=O)N)=C1)N(=O)=O)O |
| Spectrum/Structure Validation Score (Raman) | 0.986238 |