| SpectraBase Compound ID | BvEResyMLMi |
|---|---|
| InChI | InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H |
| InChIKey | FYFDQJRXFWGIBS-UHFFFAOYSA-N |
| Mol Weight | 168.11 g/mol |
| Molecular Formula | C6H4N2O4 |
| Exact Mass | 168.017107 g/mol |
17O Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EjRebw5PdCC |
|---|---|
| Name | 1,4-DINITROBENZENE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C6H4N2O4 |
| InChI | InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H |
| InChIKey | FYFDQJRXFWGIBS-UHFFFAOYSA-N |
| Literature Reference Author | D.J.CRAIK,G.C.LEVY,R.T.C.BROWNLEE |
| Literature Reference Citation | J.ORG.CHEM.,48,1601(1983) |
| Literature Reference DOI | 10.1021/jo00158a006 |
| Solvent | CH3CN |
| Source File Reference | UHPK2890 |