| SpectraBase Compound ID | JVxuCnp85Y4 |
|---|---|
| InChI | InChI=1S/C9H16N2/c1-3-5-6-11-8-9(4-2)7-10/h4,11H,3,5-6,8H2,1-2H3/b9-4- |
| InChIKey | FABBZZHIXBICKD-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 | 44fk5XDWEf1 |
|---|---|
| Name | (E)-2-(Butylaminomethyl)-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/c1-3-5-6-11-8-9(4-2)7-10/h4,11H,3,5-6,8H2,1-2H3/b9-4- |
| InChIKey | FABBZZHIXBICKD-WTKPLQERSA-N |
| Molecular Weight | 152.241 g/mol |
| SMILES | C(#N)\C(=C\C)CNCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.866396 |