| SpectraBase Compound ID | 3R73DPPHC7m |
|---|---|
| InChI | InChI=1S/C8H6N2O2/c1-6-2-3-8(10(11)12)4-7(6)5-9/h2-4H,1H3 |
| InChIKey | XOSDYLFXPMFRGF-UHFFFAOYSA-N |
| Mol Weight | 162.15 g/mol |
| Molecular Formula | C8H6N2O2 |
| Exact Mass | 162.042927 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9NVlg55Nlxs |
|---|---|
| Name | BENZONITRILE, 2-METHYL-5-NITRO- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H6N2O2 |
| InChI | InChI=1S/C8H6N2O2/c1-6-2-3-8(10(11)12)4-7(6)5-9/h2-4H,1H3 |
| InChIKey | XOSDYLFXPMFRGF-UHFFFAOYSA-N |
| Molecular Weight | 162.0428 |
| SMILES | c1(C#N)c(C)ccc(N(=O)=O)c1 |
| SPLASH | splash10-03y0-6900000000-b9fa1252ee3549277b35 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |