| SpectraBase Compound ID | 3kC0Sten7QB |
|---|---|
| InChI | InChI=1S/C12H14N2/c1-2-9-14(10-8-13)11-12-6-4-3-5-7-12/h2-7H,1,9-11H2 |
| InChIKey | JUQRUMXMODHMOH-UHFFFAOYSA-N |
| Mol Weight | 186.26 g/mol |
| Molecular Formula | C12H14N2 |
| Exact Mass | 186.115698 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9gufW3QEiXw |
|---|---|
| Name | 2-(Allyl(benzyl)amino)acetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.115698459 u |
| Formula | C12H14N2 |
| InChI | InChI=1S/C12H14N2/c1-2-9-14(10-8-13)11-12-6-4-3-5-7-12/h2-7H,1,9-11H2 |
| InChIKey | JUQRUMXMODHMOH-UHFFFAOYSA-N |
| Molecular Weight | 186.258 g/mol |
| SMILES | C=1(C=CC=CC1)CN(CC#N)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932233 |