| SpectraBase Compound ID | W0k6iICPoP |
|---|---|
| InChI | InChI=1S/C9H6N4O2/c10-3-4-12-9-2-1-8(13(14)15)5-7(9)6-11/h1-2,5,12H,4H2 |
| InChIKey | UUADXOXAUNTDEJ-UHFFFAOYSA-N |
| Mol Weight | 202.17 g/mol |
| Molecular Formula | C9H6N4O2 |
| Exact Mass | 202.049075 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4AhriT3zAhk |
|---|---|
| Name | 2-(Cyanomethylamino)-5-nitrobenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.049075447 u |
| Formula | C9H6N4O2 |
| InChI | InChI=1S/C9H6N4O2/c10-3-4-12-9-2-1-8(13(14)15)5-7(9)6-11/h1-2,5,12H,4H2 |
| InChIKey | UUADXOXAUNTDEJ-UHFFFAOYSA-N |
| Molecular Weight | 202.173 g/mol |
| SMILES | C=1(N(=O)=O)C=C(C#N)C(=CC1)NCC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.863758 |