| SpectraBase Compound ID | GLKDMKrMqTq |
|---|---|
| InChI | InChI=1S/C9H8N2O3/c1-2-14-9-4-3-8(11(12)13)5-7(9)6-10/h3-5H,2H2,1H3 |
| InChIKey | QNHGKWZNRFNTDJ-UHFFFAOYSA-N |
| Mol Weight | 192.17 g/mol |
| Molecular Formula | C9H8N2O3 |
| Exact Mass | 192.053492 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 94mWYIyZEYn |
|---|---|
| Name | 2-Ethoxy-5-nitrobenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.053492123 u |
| Formula | C9H8N2O3 |
| InChI | InChI=1S/C9H8N2O3/c1-2-14-9-4-3-8(11(12)13)5-7(9)6-10/h3-5H,2H2,1H3 |
| InChIKey | QNHGKWZNRFNTDJ-UHFFFAOYSA-N |
| Molecular Weight | 192.174 g/mol |
| SMILES | C1(C#N)=CC(N(=O)=O)=CC=C1OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93892 |