| SpectraBase Compound ID | JYxHBXErdxN |
|---|---|
| InChI | InChI=1S/C7H6N2O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2 |
| InChIKey | NEHUISRZCDWUFA-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 | EbT7bSWBraK |
|---|---|
| Name | 1-Nitro-2-(nitromethyl)benzene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H6N2O4 |
| InChI | InChI=1S/C7H6N2O4/c10-8(11)5-6-3-1-2-4-7(6)9(12)13/h1-4H,5H2 |
| InChIKey | NEHUISRZCDWUFA-UHFFFAOYSA-N |
| Molecular Weight | 182.135 g/mol |
| SMILES | c1(N(=O)=O)c(CN(=O)=O)cccc1 |
| SPLASH | splash10-004r-9500000000-aa8fae60d98a2eda965d |
| Source of Spectrum | KC-1993-1596-17 |
| Wiley ID | 778371 |