| SpectraBase Compound ID | 3PXxjvHAqU9 |
|---|---|
| InChI | InChI=1S/C10H10N2/c1-9-5-2-3-6-10(9)12-8-4-7-11/h2-6,8,12H,1H3/b8-4- |
| InChIKey | XRJXXMXKTFQKQN-YWEYNIOJSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C10H10N2 |
| Exact Mass | 158.084398 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CoN97KXxf5z |
|---|---|
| Name | (Z)-3-(o-Tolylamino)acrylonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.084398330 u |
| Formula | C10H10N2 |
| InChI | InChI=1S/C10H10N2/c1-9-5-2-3-6-10(9)12-8-4-7-11/h2-6,8,12H,1H3/b8-4- |
| InChIKey | XRJXXMXKTFQKQN-YWEYNIOJSA-N |
| Molecular Weight | 158.204 g/mol |
| SMILES | C=1C(=C(N\C=C/C#N)C=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875267 |