| SpectraBase Compound ID | GvdWVfSgQZa |
|---|---|
| InChI | InChI=1S/C8H6N2O2/c1-6-2-3-8(10(11)12)7(4-6)5-9/h2-4H,1H3 |
| InChIKey | USQNWFKYQFQGLB-UHFFFAOYSA-N |
| Mol Weight | 162.15 g/mol |
| Molecular Formula | C8H6N2O2 |
| Exact Mass | 162.042927 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 | 4h7DkaEaNiT |
|---|---|
| Name | 6-Nitro-m-tolunitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.042927439 u |
| Formula | C8H6N2O2 |
| InChI | InChI=1S/C8H6N2O2/c1-6-2-3-8(10(11)12)7(4-6)5-9/h2-4H,1H3 |
| InChIKey | USQNWFKYQFQGLB-UHFFFAOYSA-N |
| Molecular Weight | 162.148 g/mol |
| SMILES | C1(=CC=C(C(=C1)C#N)N(=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.803643 |