| SpectraBase Compound ID | 7VlZBou9rKW |
|---|---|
| InChI | InChI=1S/C14H20N2O4/c1-13(2,3)9-7-11(15(17)18)12(16(19)20)8-10(9)14(4,5)6/h7-8H,1-6H3 |
| InChIKey | DDFZTPMMDFEYOU-UHFFFAOYSA-N |
| Mol Weight | 280.32 g/mol |
| Molecular Formula | C14H20N2O4 |
| Exact Mass | 280.142307 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1n8NLccm6sE |
|---|---|
| Name | 1,2-Ditert-butyl-4,5-dinitrobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.142307128 u |
| Formula | C14H20N2O4 |
| InChI | InChI=1S/C14H20N2O4/c1-13(2,3)9-7-11(15(17)18)12(16(19)20)8-10(9)14(4,5)6/h7-8H,1-6H3 |
| InChIKey | DDFZTPMMDFEYOU-UHFFFAOYSA-N |
| SMILES | C1(=C(N(=O)=O)C=C(C(=C1)C(C)(C)C)C(C)(C)C)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.841073 |