| SpectraBase Compound ID | KSPuPealTk0 |
|---|---|
| InChI | InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3 |
| InChIKey | INYDMNPNDHRJQJ-UHFFFAOYSA-N |
| Mol Weight | 182.13 g/mol |
| Molecular Formula | C7H6N2O4 |
| Exact Mass | 182.032757 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8TxfyL2dyjH |
|---|---|
| Name | 4-Methyl-1,2-dinitrobenzene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H6N2O4 |
| InChI | InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3 |
| InChIKey | INYDMNPNDHRJQJ-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 182.135 g/mol |
| SMILES | Cc1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O |
| SPLASH | splash10-0udi-9000000000-d2cec9870b888bebe815 |
| Source of Spectrum | SRH-2022-1615-0 |
| Synonyms | 3,4-Dinitrotoluene |
| Wiley ID | 1824032 |