| SpectraBase Compound ID | 3DBEdJzJjqd |
|---|---|
| InChI | InChI=1S/C9H16N2/c1-4-9(7-10)8-11(5-2)6-3/h4H,5-6,8H2,1-3H3/b9-4- |
| InChIKey | SUYMDBCPWVZLIX-WTKPLQERSA-N |
| Mol Weight | 152.24 g/mol |
| Molecular Formula | C9H16N2 |
| Exact Mass | 152.131349 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GBlZqy47kqn |
|---|---|
| Name | (E)-2-(Diethylaminomethyl)-2-butenenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.131348523 u |
| Formula | C9H16N2 |
| InChI | InChI=1S/C9H16N2/c1-4-9(7-10)8-11(5-2)6-3/h4H,5-6,8H2,1-3H3/b9-4- |
| InChIKey | SUYMDBCPWVZLIX-WTKPLQERSA-N |
| Molecular Weight | 152.241 g/mol |
| SMILES | C(#N)\C(=C\C)CN(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.91333 |