| SpectraBase Compound ID | 5qLJbZIwHIY |
|---|---|
| InChI | InChI=1S/C12H8N2O4/c15-13(16)11-5-1-3-9(7-11)10-4-2-6-12(8-10)14(17)18/h1-8H |
| InChIKey | CCHRVFZBKRIKIX-UHFFFAOYSA-N |
| Mol Weight | 244.21 g/mol |
| Molecular Formula | C12H8N2O4 |
| Exact Mass | 244.048407 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9zkpNj0dmUF |
|---|---|
| Name | 3,3'-Dinitrobiphenyl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.048406742 u |
| Formula | C12H8N2O4 |
| InChI | InChI=1S/C12H8N2O4/c15-13(16)11-5-1-3-9(7-11)10-4-2-6-12(8-10)14(17)18/h1-8H |
| InChIKey | CCHRVFZBKRIKIX-UHFFFAOYSA-N |
| Molecular Weight | 244.206 g/mol |
| SMILES | C1(N(=O)=O)=CC(C=2C=C(N(=O)=O)C=CC2)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971662 |