| SpectraBase Compound ID | 4iU4C6o9rbK |
|---|---|
| InChI | InChI=1S/C9H8N2O2/c1-6-3-8(5-10)9(11(12)13)4-7(6)2/h3-4H,1-2H3 |
| InChIKey | KMXMOTHNWNJKBR-UHFFFAOYSA-N |
| Mol Weight | 176.17 g/mol |
| Molecular Formula | C9H8N2O2 |
| Exact Mass | 176.058578 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | I5XNb6hgyZ0 |
|---|---|
| Name | 4,5-Dimethyl-2-nitro-benzenecarbonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H8N2O2 |
| InChI | InChI=1S/C9H8N2O2/c1-6-3-8(5-10)9(11(12)13)4-7(6)2/h3-4H,1-2H3 |
| InChIKey | KMXMOTHNWNJKBR-UHFFFAOYSA-N |
| Molecular Weight | 176.175 g/mol |
| SMILES | c1(N(=O)=O)c(C#N)cc(c(c1)C)C |
| SPLASH | splash10-002b-0900000000-1740fc4976496b0af0ee |
| Source of Spectrum | KC-1983-1005-0 |
| Synonyms | 4,5-Dimethyl-2-nitro-benzonitrile |
| Wiley ID | 1172088 |