| SpectraBase Compound ID | 2jfpj0iBwy8 |
|---|---|
| InChI | InChI=1S/C6H4N4O6/c11-8(12)6(9(13)14,10(15)16)5-3-1-2-4-7-5/h1-4H |
| InChIKey | UPJHFIFANDBTQY-UHFFFAOYSA-N |
| Mol Weight | 228.12 g/mol |
| Molecular Formula | C6H4N4O6 |
| Exact Mass | 228.013084 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8gWWH8K0F8g |
|---|---|
| Name | 2-(Trinitromethyl)-pyridine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.013083859 u |
| Formula | C6H4N4O6 |
| InChI | InChI=1S/C6H4N4O6/c11-8(12)6(9(13)14,10(15)16)5-3-1-2-4-7-5/h1-4H |
| InChIKey | UPJHFIFANDBTQY-UHFFFAOYSA-N |
| Molecular Weight | 228.120 g/mol |
| SMILES | C=1(C=CC=CN1)C(N(=O)=O)(N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.873984 |