| SpectraBase Compound ID | 3kMqMY1mxqi |
|---|---|
| InChI | InChI=1S/C13H10N4O6/c1-8-4-2-3-5-10(8)14-13-11(16(20)21)6-9(15(18)19)7-12(13)17(22)23/h2-7,14H,1H3 |
| InChIKey | NDGJBUNAAYXFKO-UHFFFAOYSA-N |
| Mol Weight | 318.25 g/mol |
| Molecular Formula | C13H10N4O6 |
| Exact Mass | 318.060034 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FdvYwfjm8Gc |
|---|---|
| Name | N-Picryl-o-toluidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.060034052 u |
| Formula | C13H10N4O6 |
| InChI | InChI=1S/C13H10N4O6/c1-8-4-2-3-5-10(8)14-13-11(16(20)21)6-9(15(18)19)7-12(13)17(22)23/h2-7,14H,1H3 |
| InChIKey | NDGJBUNAAYXFKO-UHFFFAOYSA-N |
| SMILES | N(C=1C(=CC=CC1)C)C=1C(=CC(=CC1N(=O)=O)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.842891 |