| SpectraBase Compound ID | 5SMCmInRKbe |
|---|---|
| InChI | InChI=1S/C6H3N3O7/c10-6-4(8(13)14)2-1-3(7(11)12)5(6)9(15)16/h1-2,10H |
| InChIKey | UPOHJPYGIYINKG-UHFFFAOYSA-N |
| Mol Weight | 229.1 g/mol |
| Molecular Formula | C6H3N3O7 |
| Exact Mass | 228.997099 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6Lf1mj7vVdX |
|---|---|
| Name | 2,3,6-Trinitrophenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.997099442 u |
| Formula | C6H3N3O7 |
| InChI | InChI=1S/C6H3N3O7/c10-6-4(8(13)14)2-1-3(7(11)12)5(6)9(15)16/h1-2,10H |
| InChIKey | UPOHJPYGIYINKG-UHFFFAOYSA-N |
| Molecular Weight | 229.104 g/mol |
| SMILES | N(=O)(=O)C1=CC=C(C(=C1N(=O)=O)O)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.975317 |