| SpectraBase Compound ID | 1dLJ3XGdS3B |
|---|---|
| InChI | InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H |
| InChIKey | WDCYWAQPCXBPJA-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 | Bt8eeq9doZV |
|---|---|
| Name | 1,3-Dinitrobenzene |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H4N2O4 |
| InChI | InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H |
| InChIKey | WDCYWAQPCXBPJA-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 168.108 g/mol |
| SMILES | c1([N+]([O-])=O)cccc(c1)[N+]([O-])=O |
| SPLASH | splash10-0fb9-9100000000-dbaa213756bb0954380b |
| Source of Spectrum | SRH-2022-1611-0 |
| Wiley ID | 1824028 |