| SpectraBase Compound ID | 79r7sPdLG1a |
|---|---|
| InChI | InChI=1S/C8H6N2O3/c1-13-8-4-7(10(11)12)3-2-6(8)5-9/h2-4H,1H3 |
| InChIKey | MLIKCKXLGYEGAO-UHFFFAOYSA-N |
| Mol Weight | 178.15 g/mol |
| Molecular Formula | C8H6N2O3 |
| Exact Mass | 178.037842 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LYAm3REhtoE |
|---|---|
| Name | 2-Methoxy-4-nitrobenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.037842058 u |
| Formula | C8H6N2O3 |
| InChI | InChI=1S/C8H6N2O3/c1-13-8-4-7(10(11)12)3-2-6(8)5-9/h2-4H,1H3 |
| InChIKey | MLIKCKXLGYEGAO-UHFFFAOYSA-N |
| SMILES | C1(N(=O)=O)=CC(=C(C=C1)C#N)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896682 |