| 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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5tbtZROCYkq |
|---|---|
| Name | 1,4-Dinitrobenzene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. 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 |
| Molecular Weight | 168.108 g/mol |
| SMILES | c1(ccc(cc1)[N+](=O)[O-])[N+](=O)[O-] |
| SPLASH | splash10-00lr-9400000000-58aabd11b9faf091a5c0 |
| Source of Spectrum | J-80-7880-3e |
| Wiley ID | 1801554 |