| SpectraBase Compound ID | 4BA27ImTHQc |
|---|---|
| InChI | InChI=1S/C7H6N2O3/c10-7(5-9(11)12)6-2-1-3-8-4-6/h1-4H,5H2 |
| InChIKey | YWQZGEHAMVSDGR-UHFFFAOYSA-N |
| Mol Weight | 166.14 g/mol |
| Molecular Formula | C7H6N2O3 |
| Exact Mass | 166.037842 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 | 6543ajY3U9B |
|---|---|
| Name | 2-Nitro-1-(pyridin-3-yl)ethanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.037842058 u |
| Formula | C7H6N2O3 |
| InChI | InChI=1S/C7H6N2O3/c10-7(5-9(11)12)6-2-1-3-8-4-6/h1-4H,5H2 |
| InChIKey | YWQZGEHAMVSDGR-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C(CN(=O)=O)=O)C=N1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877154 |