| 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 | GR29hrWesE7 |
|---|---|
| Name | 1,3-DINITROBENZENE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 |
| Molecular Weight | 168.0170 |
| SMILES | c1c(N(=O)=O)cc(N(=O)=O)cc1 |
| SPLASH | splash10-00pi-9200000000-167c09ae0459e47288ab |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |