| SpectraBase Compound ID | 3ghaSvIleCp |
|---|---|
| InChI | InChI=1S/C12H8N2O6/c15-11-3-1-7(5-9(11)13(17)18)8-2-4-12(16)10(6-8)14(19)20/h1-6,15-16H |
| InChIKey | NTXCSKZBHUKPQU-UHFFFAOYSA-N |
| Mol Weight | 276.2 g/mol |
| Molecular Formula | C12H8N2O6 |
| Exact Mass | 276.038236 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GfmQdVoHXJL |
|---|---|
| Name | 4,4'-Dihydroxy-3,3'-dinitrobiphenyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.038235980 u |
| Formula | C12H8N2O6 |
| InChI | InChI=1S/C12H8N2O6/c15-11-3-1-7(5-9(11)13(17)18)8-2-4-12(16)10(6-8)14(19)20/h1-6,15-16H |
| InChIKey | NTXCSKZBHUKPQU-UHFFFAOYSA-N |
| SMILES | C1=C(C(=CC(=C1)C=1C=CC(=C(N(=O)=O)C1)O)N(=O)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90491 |