| SpectraBase Compound ID | GyosmF3XGFI |
|---|---|
| InChI | InChI=1S/C8H6N2O4S/c1-15(13,14)8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,1H3 |
| InChIKey | OTEUADHWTAXVNH-UHFFFAOYSA-N |
| Mol Weight | 226.21 g/mol |
| Molecular Formula | C8H6N2O4S |
| Exact Mass | 226.004828 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 70fPlV32oHm |
|---|---|
| Name | 2-(Methylsulfonyl)-5-nitrobenzonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H6N2O4S |
| InChI | InChI=1S/C8H6N2O4S/c1-15(13,14)8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,1H3 |
| InChIKey | OTEUADHWTAXVNH-UHFFFAOYSA-N |
| Molecular Weight | 226.206 g/mol |
| SMILES | c1(S(=O)(=O)C)c(C#N)cc(N(=O)=O)cc1 |
| SPLASH | splash10-03di-9200000000-6a06a44def35c96741a3 |
| Source of Spectrum | G-61-740-12 |
| Wiley ID | 748978 |